SCHEMBL3946358

SCHEMBL3946358

COc1cc2c(Nc3nc4ccc(NC(=O)c5cccc(Cl)c5)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.79
EGFR P00533 16/20 0.79
AURKA O14965 7/20 0.64
AURKB Q96GD4 6/20 0.64
TEK Q02763 5/20 0.64
FLT4 P35916 4/20 0.64
PDGFRB P09619 3/20 0.64
ERBB2 P04626 3/20 0.64
ROCK2 O75116 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
RET P07949 1/20 0.58
MET P08581 1/20 0.58
MAPT P10636 1/20 0.58
SRC P12931 1/20 0.58
PDGFRA P16234 1/20 0.58
LTK P29376 1/20 0.58
TTK P33981 1/20 0.58
MAP2K2 P36507 1/20 0.58

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
SCHEMBL2191245 0.95 EGFR (0.79) KDREGFRAURKAAURKBTEK
SCHEMBL3947486 0.93 EGFR (0.68) KDREGFRAURKAAURKBTEK
SCHEMBL3948578 0.93 EGFR (0.78) KDREGFRAURKAAURKBTEK
SCHEMBL2191250 0.90 EGFR (0.79) KDREGFRAURKAAURKBTEK
SCHEMBL3953817 0.90 EGFR (0.78) KDREGFRAURKAAURKBTEK
SCHEMBL3951593 0.90 EGFR (0.78) KDREGFRAURKAAURKBTEK
SCHEMBL13868791 0.89 KDR (0.79) KDREGFRAURKAAURKBTEK
SCHEMBL3947622 0.88 KDR (0.73) KDREGFRAURKAAURKBALDH1A1
SCHEMBL3947519 0.88 EGFR (0.69) KDREGFRAURKAAURKBTEK
SCHEMBL12507380 0.88 EGFR (0.68) KDREGFRAURKAAURKBTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 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-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 KDR 1657/4885EGFR 437/4885AURKA 139/4885

“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.