SCHEMBL86041

SCHEMBL86041

NCCCNC(=O)c1ccc2c(c1)S/C(=C(/C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.41
SMYD3 Q9H7B4 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC6 Q9UBN7 1/20 0.34
NAMPT P43490 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPK8 P45983 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
SCHEMBL86460 0.95 KDM4E (0.38) FLT3SMYD3KCNH2HDAC6NAMPT
SCHEMBL13380618 0.90 CHUK (0.40) FLT3KCNH2SRCMAPK8
SCHEMBL86040 0.87 FLT3 (0.41) FLT3SMYD3KCNH2HDAC6NAMPT
SCHEMBL86046 0.87 KMT2A (0.43)
SCHEMBL86033 0.87 HDAC4 (0.45) HDAC6NAMPT
SCHEMBL78012 0.86 KMT2A (0.45)
SCHEMBL78011 0.86 KMT2A (0.45)
SCHEMBL92909 0.86 KCNH2 (0.33) FLT3KCNH2HDAC6NAMPTABL1
SCHEMBL86037 0.86 HTR1A (0.41) HDAC6NAMPT
Hydrochloric Acid SCHEMBL78088 0.86 KMT2A (0.44)

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 FLT3 397/4885SMYD3 1644/4885KCNH2 1118/4885

“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.