SCHEMBL4761992

SCHEMBL4761992

COc1ccc(-n2c(CC#N)nc3cncc(Br)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 5/20 0.40
CYP2C9 P11712 3/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 8/20 0.36
USP2 O75604 8/20 0.36
CYP2C19 P33261 5/20 0.36
MAPK1 P28482 2/20 0.36
CYP2D6 P10635 2/20 0.36
PDE10A Q9Y233 4/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GLA P06280 1/20 0.35
PDPK1 O15530 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL5475602 0.79 MEN1 (0.42) CYP3A4ALDH1A1TSHRCYP2C9ALOX15
SCHEMBL4062568 0.72 RPS6KA5 (0.47)
SCHEMBL24463762 0.69 ALDH1A1 (0.37) CYP3A4ALDH1A1TSHRCYP2C9ALOX15
SCHEMBL23675276 0.68 MEN1 (0.43) CYP3A4ALDH1A1TSHRCYP2C9ALOX15
SCHEMBL23675240 0.68 HPGD (0.40) CYP3A4ALDH1A1TSHRCYP2C9ALOX15
SCHEMBL31482899 0.67 ALDH1A1 (0.41) CYP3A4ALDH1A1TSHRCYP2C9HSD17B10
SCHEMBL27422782 0.64 CYP3A4 (0.66) CYP3A4ALDH1A1TSHRCYP2C9ALOX15
SCHEMBL28887301 0.63 ALDH1A1 (0.44) CYP3A4ALDH1A1TSHRCYP2C9ALOX15
SCHEMBL10973892 0.60 PTGS2 (0.59) CYP3A4ALDH1A1CYP2C9SMN1; SMN2CYP2C19
SCHEMBL20176889 0.60 NPBWR1 (0.47) ALDH1A1ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689393-A4 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
EP-1689393-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005037198-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA CYP3A4 3734/4885ALDH1A1 4114/4885TSHR 3762/4885

“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.