SCHEMBL86011

SCHEMBL86011

NC(=O)/C(=C1\Nc2ccccc2S1)c1nc(-c2ccccn2)cc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 5/20 0.35
KDM4E B2RXH2 1/20 0.34
MDM2 Q00987 1/20 0.34
RAD51 Q06609 1/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
BLM P54132 1/20 0.33
CYBB P04839 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
SQOR Q9Y6N5 1/20 0.32
SGK1 O00141 1/20 0.32
ROCK2 O75116 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
SCHEMBL92860 0.88 NOX1 (0.40) GAAUSP2MAPTCYP1A2CYP2D6
SCHEMBL86027 0.85 KDM4E (0.38) GAAUSP2MAPTKDM4EKMT2A
SCHEMBL85786 0.83 NOX1 (0.37) GAAUSP2MAPTCYP1A2KDM4E
SCHEMBL86012 0.83 NOX1 (0.37) GAAUSP2MAPTCYP1A2KDM4E
SCHEMBL76594 0.83 NOX1 (0.36) GAAUSP2MAPTCYP1A2CYP2D6
SCHEMBL76593 0.83 NOX1 (0.36) GAAUSP2MAPTCYP1A2CYP2D6
SCHEMBL86170 0.82 GAA (0.37) GAAUSP2MAPTCYP1A2KDM4E
SCHEMBL86431 0.80 GAA (0.38) GAAUSP2MAPTKDM4EKMT2A
SCHEMBL76734 0.78 GAA (0.41) GAAUSP2MAPTCYP1A2KDM4E
SCHEMBL76733 0.78 GAA (0.41) GAAUSP2MAPTCYP1A2KDM4E

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 GAA 2073/4885USP2 1408/4885MAPT 3439/4885

“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.