SCHEMBL3789478

SCHEMBL3789478

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
KCNH2 Q12809 1/20 0.45
KIF11 P52732 1/20 0.43
SCD O00767 1/20 0.42
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
PARP1 P09874 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CYP11B1 P15538 1/20 0.39
NPY5R Q15761 1/20 0.39
KIT P10721 3/20 0.39
GCGR P47871 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 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
SCHEMBL3790843 0.91 DGAT1 (0.53) DGAT1KCNH2TNKSTNKS2TRPV1
SCHEMBL3790745 0.89 CYP11B1 (0.48) DGAT1KCNH2CYP11B1NPY5RKIT
SCHEMBL3791710 0.89 CYP11B1 (0.44) DGAT1KCNH2CYP11B1NPY5RKIT
SCHEMBL3794517 0.89 NPY5R (0.47) DGAT1KCNH2CYP11B1NPY5RKDM4E
SCHEMBL3786530 0.89 CYP11B1 (0.49) DGAT1KCNH2CYP11B1NPY5RKDM4E
SCHEMBL3797311 0.86 MAPK14 (0.44) CYP11B1NPY5RKITGCGRKDM4E
SCHEMBL3795358 0.86 AURKA (0.47) DGAT1KCNH2CYP11B1NPY5RKIT
SCHEMBL3786314 0.86 CYP11B1 (0.41) DGAT1KCNH2CYP11B1NPY5RKIT
SCHEMBL3794532 0.86 CYP11B1 (0.44) DGAT1KCNH2CYP11B1NPY5RKDM4E
SCHEMBL3792218 0.84 CYP11B1 (0.47) CYP11B1NPY5RKITKDM4ENPC1

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 11 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
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO 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 DGAT1 3619/4885KCNH2 1359/4885KIF11 4856/4885

“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.