SCHEMBL86194

SCHEMBL86194

NC(=O)/C(=C1\Nc2ccc(C(=O)NC3CCNCC3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.48
HDAC4 P56524 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KHK P50053 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTK2 Q05397 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
GAA P10253 1/20 0.36
HPGDS O60760 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
ACSS2 Q9NR19 1/20 0.34

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
SCHEMBL86462 0.87 SMYD3 (0.42) SMYD3HDAC4HDAC6KHKHDAC8
SCHEMBL85787 0.83 SYK (0.39)
SCHEMBL76946 0.83 SYK (0.39)
SCHEMBL76945 0.83 SYK (0.39)
SCHEMBL86188 0.81 KCNH2 (0.43)
SCHEMBL77181 0.81 KCNH2 (0.43)
SCHEMBL77182 0.81 KCNH2 (0.43)
SCHEMBL86040 0.81 FLT3 (0.41) SMYD3HDAC6GAA
SCHEMBL86020 0.80 BACE1 (0.42) HDAC4HDAC6MEN1KMT2A
SCHEMBL86445 0.80 SYK (0.40) MEN1KMT2AROCK1

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 SMYD3 1644/4885HDAC4 505/4885HDAC6 490/4885

“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.