SCHEMBL3786735

SCHEMBL3786735

COC(=O)c1ccc(-c2nc3cc(-c4c(F)cncc4F)c(-c4cccnc4)nc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
RAF1 P04049 1/20 0.45
HPSE Q9Y251 1/20 0.44
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL3790693 0.91 RAF1 (0.47) SLC2A1CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL3798711 0.90 FHIT (0.45) CYP11B1ALDH1A1HPGDLMNAKDM4E
SCHEMBL3786449 0.85 CYP11B1 (0.48) CYP11B1CYP19A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3791788 0.80 FHIT (0.45) CYP11B1ALDH1A1HPGDLMNAKDM4E
SCHEMBL3797311 0.77 MAPK14 (0.44) CYP11B1CYP11B2CYP19A1ALDH1A1HPGD
SCHEMBL3790745 0.76 CYP11B1 (0.48) CYP11B1CYP19A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3791710 0.75 CYP11B1 (0.44) CYP11B1CYP19A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3794517 0.75 NPY5R (0.47) CYP11B1CYP19A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3786530 0.75 CYP11B1 (0.49) CYP11B1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3791749 0.74 FHIT (0.48) CYP11B1ALDH1A1HPGDSMN1; SMN2KDM4E

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 8 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 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
CN-101326181-A Imidazopyridine derivatives as a2b adenosine receptor antagonists ALMIRALL LAB (ES) 2008-12-17 CN 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 SLC2A1 240/4885CYP11B1 327/4885CYP11B2 132/4885

“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.