SCHEMBL92909

SCHEMBL92909

CN/C=C\NCCNC(=O)c1ccc2c(c1)S/C(=C(/C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
MCHR1 Q99705 1/20 0.32
FLT3 P36888 1/20 0.31
NAMPT P43490 1/20 0.31
SRC P12931 1/20 0.30
MAPK14 Q16539 1/20 0.30
SYK P43405 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
SCHEMBL86460 0.87 KDM4E (0.38) KCNH2HDAC6ABL1FLT3NAMPT
SCHEMBL86041 0.86 FLT3 (0.41) KCNH2HDAC6ABL1FLT3NAMPT
SCHEMBL13380618 0.84 CHUK (0.40) KCNH2FLT3SRC
SCHEMBL86037 0.83 HTR1A (0.41) HDAC6NAMPT
SCHEMBL86046 0.81 KMT2A (0.43)
SCHEMBL86068 0.81 NAMPT (0.42) HDAC6NAMPT
SCHEMBL86081 0.80 CD274 (0.45) KCNH2
SCHEMBL77868 0.80 SYK (0.37) SYK
SCHEMBL77867 0.80 SYK (0.37) SYK
SCHEMBL86033 0.80 HDAC4 (0.45) HDAC6NAMPT

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 KCNH2 1118/4885HDAC6 490/4885ABL1 56/4885

“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.