SCHEMBL3786449

SCHEMBL3786449

Fc1ccc(-c2nc3cc(-c4c(F)cncc4F)c(-c4cccnc4)nc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
NPY5R Q15761 2/20 0.43
KIT P10721 1/20 0.42
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPK14 Q16539 3/20 0.40
KDM4E B2RXH2 3/20 0.40
EGFR P00533 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
STAT1 P42224 1/20 0.40
CYP19A1 P11511 1/20 0.39
LDHA P00338 1/20 0.39
EPHX2 P34913 1/20 0.39
DHODH Q02127 1/20 0.39

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) CYP11B1ALDH1A1PKMNPY5RKIT
SCHEMBL3798711 0.88 FHIT (0.45) CYP11B1ALDH1A1NPY5RMAPK14KDM4E
SCHEMBL3792553 0.87 CYP11B1 (0.50) CYP11B1ALDH1A1PKMNPY5RKIT
SCHEMBL3786735 0.85 SLC2A1 (0.47) CYP11B1ALDH1A1PKMMAPK14KDM4E
SCHEMBL3794517 0.82 NPY5R (0.47) CYP11B1ALDH1A1NPY5RDGAT1KCNH2
SCHEMBL3791710 0.82 CYP11B1 (0.44) CYP11B1ALDH1A1NPY5RKITDGAT1
SCHEMBL3786530 0.82 CYP11B1 (0.49) CYP11B1ALDH1A1NPY5RDGAT1KCNH2
SCHEMBL3792218 0.80 CYP11B1 (0.47) CYP11B1ALDH1A1NPY5RKITMAPK14
SCHEMBL3790843 0.79 DGAT1 (0.53) CYP11B1ALDH1A1NPY5RKITDGAT1
SCHEMBL3794532 0.79 CYP11B1 (0.44) CYP11B1ALDH1A1NPY5RDGAT1KCNH2

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 CYP11B1 327/4885ALDH1A1 326/4885PKM 2843/4885

“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.