SCHEMBL86465

SCHEMBL86465

CN(C)CC(=O)Nc1ccc2c(c1)S/C(=C(/C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.35
MAPT P10636 1/20 0.34
ITK Q08881 1/20 0.34
BRAF P15056 2/20 0.34
APAF1 O14727 1/20 0.34
KMT2A Q03164 1/20 0.34
CALCRL Q16602 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
SYK P43405 2/20 0.33
ROCK1 Q13464 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP12 Q9H0J9 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL76569 0.90 RAF1 (0.35) RAF1KMT2ACALCRLSYK
SCHEMBL76568 0.90 RAF1 (0.35) RAF1KMT2ACALCRLSYK
SCHEMBL86090 0.87 CCNT1 (0.38) RAF1MAPTITKBRAFCALCRL
SCHEMBL76758 0.84 AURKB (0.40) RAF1CALCRLCCNE1CDK2SYK
SCHEMBL76760 0.84 AURKB (0.40) RAF1CALCRLCCNE1CDK2SYK
SCHEMBL86105 0.80 SYK (0.36) KMT2ASYKMAP4K4
SCHEMBL78709 0.80 SYK (0.32) RAF1SYK
SCHEMBL78710 0.80 SYK (0.32) RAF1SYK
SCHEMBL85796 0.79 PARP1 (0.37) RAF1MAPTSYKPARP1
SCHEMBL86032 0.79 SNCA (0.33) RAF1SYK

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 5 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-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
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 226/4885MAPT 3439/4885ITK 611/4885

“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.