SCHEMBL76569

SCHEMBL76569

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.35
CALCRL Q16602 1/20 0.34
PDPK1 O15530 1/20 0.33
SYK P43405 6/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
GAA P10253 1/20 0.32
KIF11 P52732 1/20 0.32
TERT O14746 1/20 0.32
HIF1A Q16665 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL76568 1.00 RAF1 (0.35) RAF1CALCRLPDPK1SYKCA1
SCHEMBL86465 0.90 RAF1 (0.35) RAF1CALCRLSYKKMT2A
SCHEMBL76760 0.85 AURKB (0.40) RAF1CALCRLSYKCA1CA2
SCHEMBL76758 0.85 AURKB (0.40) RAF1CALCRLSYKCA1CA2
SCHEMBL78709 0.83 SYK (0.32) RAF1SYK
SCHEMBL78710 0.83 SYK (0.32) RAF1SYK
SCHEMBL86032 0.82 SNCA (0.33) RAF1SYK
SCHEMBL77868 0.81 SYK (0.37) SYK
SCHEMBL77867 0.81 SYK (0.37) SYK
SCHEMBL86460 0.80 KDM4E (0.38) SYKTERT

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 RAF1 226/4885CALCRL 4647/4885PDPK1 176/4885

“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.