SCHEMBL78158

SCHEMBL78158

CC(C)(N)C(=O)Nc1ccc2c(c1)NC(=C(C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.39
SYK P43405 11/20 0.36
CTPS1 P17812 2/20 0.34
NPY2R P49146 2/20 0.34
GAA P10253 1/20 0.33
S1PR1 P21453 1/20 0.33
TGFBR1 P36897 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32

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
SCHEMBL78157 1.00 RAF1 (0.39) RAF1SYKCTPS1NPY2RGAA
SCHEMBL86469 1.00 RAF1 (0.39) RAF1SYKCTPS1NPY2RGAA
SCHEMBL77927 0.91 RAF1 (0.37) RAF1SYKCTPS1NPY2RGAA
SCHEMBL76886 0.91 RAF1 (0.37) RAF1SYKCTPS1NPY2RGAA
SCHEMBL86447 0.86 RAF1 (0.39) RAF1SYKGAASMARCA2SMARCA4
SCHEMBL86090 0.85 CCNT1 (0.38) RAF1SYK
SCHEMBL86044 0.85 BRAF (0.41) RAF1SYKTGFBR1
SCHEMBL76887 0.84 ALDH1A1 (0.40) RAF1SYKGAA
SCHEMBL86468 0.84 ALDH1A1 (0.40) RAF1SYKGAA
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 2 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 claimed
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 claimed

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 716/4885CTPS1 677/4885

“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.