SCHEMBL2616405

SCHEMBL2616405

CC(C)(C)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
STAT3 P40763 1/20 0.49
CNR2 P34972 7/20 0.49
CYP2C19 P33261 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL13658041 0.94 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL14349482 0.87 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL14349348 0.87 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL10331986 0.84 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL9906416 0.84 TRPV1 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL13248473 0.84 KDM4E (0.51) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL29959269 0.83 MAPT (0.62) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL10331339 0.83 TRPV1 (0.51) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL13271913 0.82 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL2733014 0.81 SMN1; SMN2 (0.50) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US disclosed
US-7291612-B2 Immunomodulatory compounds ACTIVE BIOTECH A.B. (SE) 2007-11-06 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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 (10 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 ALDH1A1 1859/4885HPGD 2531/4885HSD17B10 4348/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 ALDH1A1 1867/4885HPGD 4010/4885HSD17B10 3085/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885HPGD 1120/4885HSD17B10 860/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1892/4885HPGD 1307/4885HSD17B10 1526/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 ALDH1A1 543/4885HPGD 1760/4885HSD17B10 231/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 ALDH1A1 2109/4885HPGD 1639/4885HSD17B10 3772/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 ALDH1A1 543/4885HPGD 1760/4885HSD17B10 231/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 ALDH1A1 4225/4885HPGD 1636/4885HSD17B10 2726/4885
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors PIK3CD, PIK3R5, PIK3CA ALDH1A1 1955/4885HPGD 1782/4885HSD17B10 1494/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ALDH1A1 1828/4885HPGD 2542/4885HSD17B10 2786/4885

“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.