SCHEMBL762008

SCHEMBL762008

Cn1cnc2cc(C(C)(C)C)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 3/20 0.42
GFER P55789 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SHMT2 P34897 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL23479473 0.86 GRM5 (0.46) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL762017 0.85 DYRK1A (0.49) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL2570814 0.84 GRM5 (0.47) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL19510071 0.83 SHMT2 (0.46) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL21025948 0.81 GRM5 (0.36) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL29431644 0.81 GRM5 (0.45) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL23060504 0.80 NPC1 (0.44) GRM5ALDH1A1MAPTNPC1RAB9A
SCHEMBL25659087 0.80 HPGD (0.38) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL13920394 0.80 NPC1 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15828632 0.78 NPC1 (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 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-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-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-05 US disclosed
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-05 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 GRM5 3168/4885ALDH1A1 4344/4885MAPT 1178/4885
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 GRM5 1037/4885ALDH1A1 996/4885MAPT 4060/4885
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ERBB2, EGFR, ERBB3 GRM5 1581/4885ALDH1A1 607/4885MAPT 3307/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 GRM5 154/4885ALDH1A1 894/4885MAPT 1110/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP GRM5 378/4885ALDH1A1 472/4885MAPT 2623/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB GRM5 2653/4885ALDH1A1 212/4885MAPT 2999/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GRM5 456/4885ALDH1A1 2583/4885MAPT 3799/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK GRM5 3175/4885ALDH1A1 4478/4885MAPT 2570/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 GRM5 3422/4885ALDH1A1 3700/4885MAPT 985/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 GRM5 3307/4885ALDH1A1 4709/4885MAPT 3549/4885

“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.