SCHEMBL1554963

SCHEMBL1554963

CC(C)(C)OC(=O)Nc1cc(N)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAP4K4 O95819 1/20 0.39
SCN9A Q15858 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP17A1 P05093 1/20 0.35
ATR Q13535 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35

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
SCHEMBL16534093 0.80 HCAR3 (0.49) AURKAAURKBSCN9AGSK3BDYRK1A
SCHEMBL16534089 0.79 MAPK1 (0.51) MAPK1LMNAATRALDH1A1RAB9A
SCHEMBL6621424 0.77 PTGDR2 (0.41) AURKAAURKBSCN9AMAPK1KDM4E
SCHEMBL1555895 0.77 DYRK1A (0.43) AURKAAURKBSCN9AGSK3BDYRK1A
SCHEMBL15318181 0.76 RAB9A (0.51) SCN9ACA1CA2DYRK1AALDH1A1
SCHEMBL4697772 0.76 ALDH1A1 (0.36) AURKAAURKBMAP4K4SCN9ACA1
SCHEMBL17950342 0.76 NPSR1 (0.51) CA1CA2KDM4ELMNANPSR1
SCHEMBL14688543 0.75 RET (0.47) CA1CA2NPSR1ALDH1A1CCNA2
SCHEMBL4699047 0.75 MAP4K4 (0.39) AURKAAURKBMAP4K4CA1CA2
SCHEMBL17645589 0.74 CCNA2 (0.44) CCNA2CDK2CCNA1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110062758-B Bicyclic dihydropyrimidine-carboxamide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-01-17 CN disclosed
CN-110062758-A BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS 奇斯药制品公司 2019-07-26 CN disclosed
WO-2018115383-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-28 WO disclosed
US-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTISI S.p.A. (IT) 2018-06-21 US disclosed
US-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTISI S.p.A. (IT) 2018-06-21 US disclosed
US-20170204099-A1 Pyrazolopyrimidine Compounds PFIZER INC. (US) 2017-07-20 US disclosed
US-20170204099-A1 Pyrazolopyrimidine Compounds PFIZER INC. (US) 2017-07-20 US disclosed
US-9388181-B2 Substituted 1,2,3,4-tetrahydropyrido[3,4-E] pyrrolo[1,2-A]pyrimidines as kinase ALLERGAN, INC. (US) 2016-07-12 US disclosed
US-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 US disclosed
WO-2016012896-A1 PYRAZOLOPYRIMIDINE COMPOUNDS PFIZER INC. (US) 2016-01-28 WO disclosed
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2014-01-30 US disclosed
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2014-01-30 US disclosed
CN-103534254-A Tricyclic and tetracyclic pyrazolo [3,4-b ] pyridine compounds as antitumor agents PF MEDICAMENT 2014-01-22 CN disclosed
WO-2012140114-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2012-10-18 WO disclosed
WO-2012140114-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2012-10-18 WO disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
EP-2488519-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT Pierre Fabre Médicament (FR) 2012-08-22 EP disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 WO disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 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 (6 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-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT AURKA 848/4885AURKB 645/4885MAP4K4 164/4885
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 AURKA 106/4885AURKB 401/4885MAP4K4 264/4885
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT TPMT, TYMP, PAICS AURKA 227/4885AURKB 160/4885MAP4K4 1910/4885
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 AURKA 265/4885AURKB 318/4885MAP4K4 11/4885
US-20160096837-A1 SUBSTITUTED 1,2,3,4-TETRAHYDROPYRIDO[3,4-E] PYRROLO[1,2-A]PYRIMIDINES AS KINASE INHIBITORS TK1, CDK2, MAP4K2 AURKA 219/4885AURKB 166/4885MAP4K4 24/4885
US-20170204099-A1 Pyrazolopyrimidine Compounds DPYD, QDPR, ABCG2 AURKA 889/4885AURKB 848/4885MAP4K4 455/4885

“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.