SCHEMBL84579

SCHEMBL84579

COc1cc(-c2nc(-c3ccccc3)n(COCC[Si](C)(C)C)c2Br)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.39
FYN P06241 3/20 0.38
ADORA1 P30542 1/20 0.36
CASR P41180 2/20 0.35
AKT1 P31749 1/20 0.35
TNIK Q9UKE5 1/20 0.35
DHFR P00374 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
BRAF P15056 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATR Q13535 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL67109 0.92 TNIK (0.43) DGAT1FYNTNIKALOX5APFEN1
SCHEMBL15181498 0.89 DGAT1 (0.40) DGAT1ADORA1AKT1ALOX5APFEN1
SCHEMBL68028 0.79 ACVR1 (0.42) FYN
SCHEMBL84580 0.79 DGAT1 (0.49) DGAT1FYNADORA1PIK3CA
SCHEMBL68153 0.78 MAPK14 (0.39) DGAT1AKT1BRAFKDM4ENPC1
SCHEMBL68061 0.76 PRMT5 (0.35) FYNTNIKPIK3CA
SCHEMBL16497632 0.76 DGAT1 (0.41) DGAT1KDM4ENPC1ALDH1A1TP53
SCHEMBL68603 0.75 TNIK (0.39) DGAT1FYNCASRTNIKDHFR
SCHEMBL67447 0.74 DGAT1 (0.40) DGAT1CASRKDM4ENPC1ALDH1A1
SCHEMBL4839289 0.72 F11 (0.39) DGAT1KDM4ENPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS DGAT1 3367/4885FYN 628/4885ADORA1 4482/4885

“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.