SCHEMBL3795358

SCHEMBL3795358

CN(C)c1ccc(-c2nc3cc(-c4ccncc4F)c(-c4cccnc4)nc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
TCF4 P15884 1/20 0.42
CTNNB1 P35222 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP11B1 P15538 1/20 0.39
NPY5R Q15761 1/20 0.39
DGAT1 O75907 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
NOX1 Q9Y5S8 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GUSB P08236 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 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
SCHEMBL3790745 0.89 CYP11B1 (0.48) ALOX5CYP11B1NPY5RDGAT1KCNH2
SCHEMBL3794517 0.89 NPY5R (0.47) CYP11B1NPY5RDGAT1KCNH2NPC1
SCHEMBL3791710 0.89 CYP11B1 (0.44) CYP11B1NPY5RDGAT1KCNH2NPC1
SCHEMBL3786530 0.89 CYP11B1 (0.49) CYP11B1NPY5RDGAT1KCNH2NPC1
SCHEMBL3789478 0.86 DGAT1 (0.45) CYP11B1NPY5RDGAT1KCNH2NPC1
SCHEMBL3797311 0.86 MAPK14 (0.44) ALOX5CYP11B1NPY5RNPC1RAB9A
SCHEMBL3786314 0.86 CYP11B1 (0.41) CYP11B1NPY5RDGAT1KCNH2NPC1
SCHEMBL3794532 0.86 CYP11B1 (0.44) CYP11B1NPY5RDGAT1KCNH2NPC1
SCHEMBL3790843 0.85 DGAT1 (0.53) CYP11B1NPY5RDGAT1KCNH2NPC1
SCHEMBL3792218 0.84 CYP11B1 (0.47) CYP11B1NPY5RNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US claimed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US claimed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 AURKA 3899/4885TCF4 4764/4885CTNNB1 4245/4885

“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.