SCHEMBL761268

SCHEMBL761268

CC(C)(C)c1ccc2nccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
METAP2 P50579 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
KCNH2 Q12809 1/20 0.41
KIF11 P52732 2/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18589866 0.84 KIF11 (0.53) ALDH1A1HPGDGAAKDM4ENPC1
SCHEMBL25537400 0.79 RAB9A (0.38) ALDH1A1HPGDGAAKDM4ENPC1
SCHEMBL14269044 0.79 SMN1; SMN2 (0.42) ALDH1A1HPGDGAAKDM4ENPC1
SCHEMBL21756785 0.78 PDE10A (0.37) ALDH1A1HPGDGAAKDM4ENPC1
SCHEMBL29550395 0.77 NOS3 (0.52) KDM4EKIF11PKM
SCHEMBL12502189 0.77 NOS3 (0.52) KDM4EKIF11PKM
SCHEMBL22292163 0.77 SCN10A (0.38) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL8400256 0.77 SCN10A (0.38) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL20689985 0.77 CNR2 (0.38) ALDH1A1HPGDGAAKDM4ENPC1
SCHEMBL23118240 0.76 SCN10A (0.47) ALDH1A1HPGDGAAKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 423 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA ALDH1A1 4725/4885HPGD 4128/4885GAA 1166/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885HPGD 2279/4885GAA 1018/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885HPGD 2279/4885GAA 1018/4885
US-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP ALDH1A1 1182/4885HPGD 1673/4885GAA 2/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1892/4885HPGD 1307/4885GAA 344/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 ALDH1A1 3710/4885HPGD 447/4885GAA 3040/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 ALDH1A1 894/4885HPGD 507/4885GAA 1778/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ALDH1A1 3140/4885HPGD 808/4885GAA 1848/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 ALDH1A1 4147/4885HPGD 713/4885GAA 199/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 ALDH1A1 1218/4885HPGD 458/4885GAA 2041/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885HPGD 3374/4885GAA 3859/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 ALDH1A1 1758/4885HPGD 2512/4885GAA 821/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885HPGD 105/4885GAA 2785/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HPGD 1749/4885GAA 94/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.