SCHEMBL3944523

SCHEMBL3944523

COc1cc2ncnc(Nc3nc4cc(NC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)ccc4s3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.60
RAF1 P04049 3/20 0.59
KDR P35968 10/20 0.59
EGFR P00533 5/20 0.59
KIT P10721 2/20 0.55
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
AURKA O14965 1/20 0.51
NTRK1 P04629 1/20 0.51
EPHA2 P29317 1/20 0.50
EPHB4 P54760 1/20 0.50
MAPK14 Q16539 1/20 0.49

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
SCHEMBL3948976 0.94 BRAF (0.60) BRAFRAF1KDREGFRKIT
SCHEMBL3952714 0.88 KIT (0.57) BRAFRAF1KDREGFRKIT
SCHEMBL3947811 0.86 KDR (0.59) BRAFRAF1KDREGFRKIT
SCHEMBL3948346 0.86 EGFR (0.60) BRAFRAF1KDREGFRKIT
SCHEMBL2189216 0.85 KDR (0.71) BRAFKDREGFRAURKA
SCHEMBL3951045 0.84 KDR (0.55) BRAFRAF1KDREGFRNTRK1
SCHEMBL3945278 0.84 EGFR (0.66) BRAFRAF1KDREGFRAURKA
SCHEMBL3946977 0.84 EGFR (0.66) BRAFRAF1KDREGFRAURKA
SCHEMBL3947634 0.84 KDR (0.72) BRAFKDREGFR
SCHEMBL3945598 0.84 KDR (0.72) BRAFKDREGFR

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 7 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
EP-1674467-A1 2,5- and 2,6-disubstituted benzazole derivatives useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP 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 BRAF 15/4885RAF1 121/4885KDR 1657/4885

“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.