SCHEMBL4836631

SCHEMBL4836631

COc1ncnc(OC)c1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
TTK P33981 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.40
CDC7 O00311 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
NPC1 O15118 3/20 0.39
PDGFRB P09619 4/20 0.38
PDGFRA P16234 4/20 0.38
DYRK1A Q13627 2/20 0.37

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
SCHEMBL18929902 0.78 EDNRB (0.39) LMNANPC1RAB9ASMN1; SMN2PDPK1
SCHEMBL2037410 0.78 PDPK1 (0.35) MAPTKDM4ECYP1A2CYP2C19NPC1
SCHEMBL21180006 0.75 MCL1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23042145 0.72 LTA4H (0.52) KDM4ENPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1841197 0.70 LRRK2 (0.49) AURKATTKAURKBINCENPCYP1A2
SCHEMBL14680916 0.70 MAPT (0.50) AURKATTKAURKBINCENPMAPT
SCHEMBL15333930 0.69 KDR (0.46) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29501236 0.69 BTK (0.50) AURKATTKAURKBINCENPMAPT
SCHEMBL30626329 0.68 AURKA (0.45) AURKATTKAURKBINCENPMAPT
SCHEMBL4302102 0.68 MAPT (0.71) MAPTLMNAKDM4ECYP3A4CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (1 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 AURKA 2720/4885TTK 919/4885AURKB 2680/4885

“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.