SCHEMBL85786

SCHEMBL85786

Cc1cc(C(F)(F)F)nc(/C(C(N)=O)=C2/Nc3ccccc3S2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 6/20 0.37
CYBB P04839 2/20 0.37
NOX3 Q9HBY0 2/20 0.37
NOX4 Q9NPH5 2/20 0.37
GAA P10253 8/20 0.36
MAPT P10636 6/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALOX15 P16050 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SNCA P37840 2/20 0.36
APP P05067 1/20 0.36
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 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
SCHEMBL92860 0.93 NOX1 (0.40) NOX1CYBBNOX3NOX4GAA
SCHEMBL76593 0.90 NOX1 (0.36) NOX1CYBBNOX3NOX4GAA
SCHEMBL76594 0.90 NOX1 (0.36) NOX1CYBBNOX3NOX4GAA
SCHEMBL86440 0.90 GAA (0.41) NOX1CYBBNOX3NOX4GAA
SCHEMBL86012 0.89 NOX1 (0.37) NOX1CYBBNOX3NOX4GAA
SCHEMBL86431 0.87 GAA (0.38) NOX1CYBBNOX3NOX4GAA
SCHEMBL76928 0.85 HSP90AA1 (0.40) GAAMAPTHSP90AA1HSP90AB1KMT2A
SCHEMBL86011 0.83 GAA (0.35) NOX1CYBBNOX3NOX4GAA
SCHEMBL86030 0.83 GAA (0.36) NOX1CYBBNOX3NOX4GAA
SCHEMBL86170 0.83 GAA (0.37) NOX1CYBBNOX3NOX4GAA

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 NOX1 2943/4885CYBB 2417/4885NOX3 2499/4885

“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.