SCHEMBL3947459

SCHEMBL3947459

COc1cccc(NC(=O)Nc2ccc3nc(Nc4ncnc5cc(OCCCN6CCCC6)c(OC)cc45)sc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.61
EGFR P00533 11/20 0.61
SRC P12931 1/20 0.60
BRAF P15056 4/20 0.59
AURKA O14965 7/20 0.58
AURKB Q96GD4 3/20 0.58
ERBB2 P04626 2/20 0.58
FLT4 P35916 2/20 0.58
TEK Q02763 2/20 0.58
RAF1 P04049 1/20 0.55
PDGFRB P09619 1/20 0.54

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
SCHEMBL3947281 0.95 EGFR (0.69) KDREGFRSRCBRAFAURKA
SCHEMBL3949805 0.94 KDR (0.70) KDREGFRSRCBRAFAURKA
SCHEMBL3953826 0.93 AURKA (0.63) KDREGFRSRCBRAFAURKA
SCHEMBL3946268 0.92 AURKA (0.64) KDREGFRBRAFAURKAAURKB
SCHEMBL1504960 0.91 EGFR (0.69) KDREGFRSRCBRAFAURKA
SCHEMBL3954388 0.91 EGFR (0.59) KDREGFRBRAFAURKAAURKB
SCHEMBL1504836 0.89 KDR (0.71) KDREGFRBRAF
SCHEMBL3946804 0.89 EGFR (0.78) KDREGFRAURKAAURKBERBB2
SCHEMBL1504794 0.89 EGFR (0.71) KDREGFRSRCBRAFAURKA
SCHEMBL3946532 0.89 KDR (0.74) KDREGFRSRCBRAFFLT4

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
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
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 437/4885SRC 315/4885

“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.