SCHEMBL6979387

SCHEMBL6979387

CNc1ccc(COc2cccc(C#N)c2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
APP P05067 1/20 0.42
MAOB P27338 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TBXAS1 P24557 1/20 0.40
PPARG P37231 1/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMPD1 P17405 1/20 0.38
GPR34 Q9UPC5 1/20 0.38

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
SCHEMBL9975350 0.86 NR1H4 (0.45) FFAR1APPNR1H4TBXAS1GAA
SCHEMBL14548609 0.85 APP (0.43) FFAR1APPMAOBNR1H4ALOX15
SCHEMBL1234573 0.75 NR1H4 (0.50) FFAR1MAOBNR1H4TBXAS1PPARG
SCHEMBL6979470 0.74 MRGPRX4 (0.57) FFAR1MAOB
SCHEMBL21340514 0.74 FFAR1 (0.56) FFAR1APPMAOB
SCHEMBL23541335 0.74 FFAR1 (0.51) FFAR1MAOBNR1H4SMPD1GPR34
SCHEMBL34433763 0.74 FFAR1 (0.51) FFAR1MAOBNR1H4SMPD1GPR34
SCHEMBL29741618 0.74 FFAR1 (0.51) FFAR1MAOBNR1H4SMPD1GPR34
SCHEMBL14380643 0.73 NR4A2 (0.43) FFAR1NR1H4TBXAS1NPC1MAPT
SCHEMBL6960942 0.73 NR1H4 (0.47) FFAR1NR1H4TBXAS1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 FFAR1 1120/4885APP 4616/4885MAOB 781/4885

“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.