SCHEMBL86177

SCHEMBL86177

CCc1cnc(/C(C(N)=O)=C2/Nc3ccccc3S2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.43
MAPT P10636 8/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX15 P16050 3/20 0.35
NOX1 Q9Y5S8 3/20 0.35
SNCA P37840 2/20 0.35
CYBB P04839 1/20 0.35
APP P05067 1/20 0.35
NOX3 Q9HBY0 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL76733 0.83 GAA (0.41) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL76734 0.83 GAA (0.41) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL86440 0.78 GAA (0.41) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL86175 0.76 GAA (0.36) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL86006 0.75 MAPT (0.40) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL86435 0.74 GAA (0.34) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL77885 0.73 GAA (0.37) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL77884 0.73 GAA (0.37) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10105401 0.73 HSD17B10 (0.34) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL92860 0.72 NOX1 (0.40) GAAMAPTALDH1A1HSD17B10MAPK1

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 2073/4885MAPT 3439/4885ALDH1A1 1651/4885

“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.