SCHEMBL86460

SCHEMBL86460

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
FLT3 P36888 3/20 0.36
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TERT O14746 2/20 0.34
ABL1 P00519 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
IKBKG Q9Y6K9 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SYK P43405 1/20 0.33
NAMPT P43490 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
METAP2 P50579 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR1 O75376 1/20 0.32
HDAC4 P56524 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
SCHEMBL86041 0.95 FLT3 (0.41) FLT3KCNH2ABL1SMYD3NAMPT
SCHEMBL13380618 0.88 CHUK (0.40) KDM4EFLT3KCNH2CHUK
SCHEMBL92909 0.87 KCNH2 (0.33) FLT3KCNH2ABL1SYKNAMPT
SCHEMBL86037 0.87 HTR1A (0.41) NAMPTHDAC6HDAC3HDAC4HDAC1
SCHEMBL86068 0.86 NAMPT (0.42) NAMPTHDAC6HDAC4CYP1A2
SCHEMBL86081 0.86 CD274 (0.45) KCNH2CYP1A2MAOB
SCHEMBL77868 0.85 SYK (0.37) SYK
SCHEMBL77867 0.85 SYK (0.37) SYK
SCHEMBL86033 0.85 HDAC4 (0.45) NAMPTHDAC6HDAC4CYP1A2
SCHEMBL86046 0.85 KMT2A (0.43) LMNAMAPT

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 KDM4E 939/4885FLT3 397/4885KCNH2 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.