SCHEMBL86447

SCHEMBL86447

NC(=O)/C(=C1\Nc2ccc(NC(=O)C3(N)CC3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.39
SYK P43405 7/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
ROCK2 O75116 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
RPS6KB1 P23443 3/20 0.32
CALCRL Q16602 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31

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
SCHEMBL86044 0.86 BRAF (0.41) RAF1SYK
SCHEMBL86469 0.86 RAF1 (0.39) RAF1SYKGAASMARCA2SMARCA4
SCHEMBL78157 0.86 RAF1 (0.39) RAF1SYKGAASMARCA2SMARCA4
SCHEMBL78158 0.86 RAF1 (0.39) RAF1SYKGAASMARCA2SMARCA4
SCHEMBL92930 0.85 ROCK2 (0.33) ROCK2RPS6KB1
SCHEMBL77927 0.84 RAF1 (0.37) RAF1SYKGAASMARCA2SMARCA4
SCHEMBL76886 0.84 RAF1 (0.37) RAF1SYKGAASMARCA2SMARCA4
SCHEMBL86090 0.83 CCNT1 (0.38) RAF1SYKCA1CA2CALCRL
SCHEMBL86042 0.82 KDR (0.43) RAF1ROCK2RPS6KB1
SCHEMBL86099 0.82 KDR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 RAF1 226/4885SYK 716/4885CA12 2962/4885

“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.