SCHEMBL76760

SCHEMBL76760

CC(C)(C)OC(=O)NCC(=O)Nc1ccc2c(c1)SC(=C(C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.40
EGFR P00533 2/20 0.37
RAF1 P04049 2/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SUV39H2 Q9H5I1 2/20 0.33
MET P08581 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL76758 1.00 AURKB (0.40) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL76569 0.85 RAF1 (0.35) RAF1CA1CA2CALCRLSYK
SCHEMBL76568 0.85 RAF1 (0.35) RAF1CA1CA2CALCRLSYK
SCHEMBL76759 0.80
SCHEMBL78709 0.76 SYK (0.32) RAF1SYK
SCHEMBL78710 0.76 SYK (0.32) RAF1SYK
SCHEMBL85796 0.75 PARP1 (0.37) RAF1SUV39H2SYKNPY2R
SCHEMBL86032 0.75 SNCA (0.33) RAF1SYK
SCHEMBL77868 0.74 SYK (0.37) SYK
SCHEMBL86460 0.74 KDM4E (0.38) HDAC3HDAC1HDAC10HDAC6SYK

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 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

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 AURKB 43/4885EGFR 554/4885RAF1 226/4885

“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.