SCHEMBL16632505

SCHEMBL16632505

COc1ccc(CN(C)c2cc3nc(C)c(-c4cc(NC(=O)O)c(F)cc4C)cc3cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.46
BRAF P15056 7/20 0.46
RAF1 P04049 6/20 0.46
KRAS P01116 4/20 0.46
MAP2K2 P36507 2/20 0.46
MAP2K1 Q02750 2/20 0.46
ARAF P10398 3/20 0.44
MAPK13 O15264 1/20 0.39
ABL1 P00519 1/20 0.39
FYN P06241 1/20 0.39
SRC P12931 1/20 0.39
EPHA2 P29317 1/20 0.39
CSK P41240 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
IRAK1 P51617 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK10 P53779 1/20 0.39
EPHB4 P54760 1/20 0.39
MAP2K5 Q13163 1/20 0.39

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
SCHEMBL16632381 0.94 KDR (0.39) KDRBRAFRAF1KRASMAP2K2
SCHEMBL16632423 0.92 KDR (0.38) KDRBRAFRAF1KRASMAP2K2
SCHEMBL15289515 0.90 BRAF (0.43) KDRBRAFRAF1KRASMAP2K2
SCHEMBL16641784 0.89 BRAF (0.52) KDRBRAFRAF1KRASMAP2K2
SCHEMBL15289568 0.89 BRAF (0.63) KDRBRAFRAF1KRASMAP2K2
SCHEMBL15272707 0.88 KDR (0.47) KDRBRAFRAF1KRASABL1
SCHEMBL15289586 0.87 BRAF (0.43) KDRBRAFRAF1KRASMAP2K2
SCHEMBL15270448 0.87 BRAF (0.44) KDRBRAFRAF1KRASMAP2K2
SCHEMBL15289587 0.87 BRAF (0.52) KDRBRAFRAF1KRASMAP2K2
SCHEMBL16632292 0.86 ALDH1A1 (0.36) KDRBRAFRAF1KRASMAP2K2

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-9187474-B2 Raf inhibitor compounds DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20150105367-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC 2015-04-16 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-20150105367-A1 RAF INHIBITOR COMPOUNDS BRAF, RAF1, NRAS KDR 806/4885BRAF 1/4885RAF1 2/4885

“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.