SCHEMBL86440

SCHEMBL86440

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.41
NOX1 Q9Y5S8 10/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALOX15 P16050 3/20 0.41
SNCA P37840 2/20 0.41
CYBB P04839 2/20 0.41
NOX3 Q9HBY0 2/20 0.41
NOX4 Q9NPH5 2/20 0.41
APP P05067 1/20 0.41
MAPK1 P28482 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL86030 0.91 GAA (0.36) GAANOX1MAPTMEN1KMT2A
SCHEMBL85786 0.90 NOX1 (0.37) GAANOX1MAPTMEN1KMT2A
SCHEMBL86175 0.88 GAA (0.36) GAANOX1MAPTMEN1KMT2A
SCHEMBL86016 0.88 MAPT (0.42) GAANOX1MAPTMEN1KMT2A
SCHEMBL92860 0.84 NOX1 (0.40) GAANOX1MAPTMEN1KMT2A
SCHEMBL76733 0.82 GAA (0.41) GAANOX1MAPTMEN1KMT2A
SCHEMBL76734 0.82 GAA (0.41) GAANOX1MAPTMEN1KMT2A
SCHEMBL76593 0.81 NOX1 (0.36) GAANOX1MAPTMEN1KMT2A
SCHEMBL86012 0.80 NOX1 (0.37) GAANOX1MAPTMEN1KMT2A
SCHEMBL86431 0.79 GAA (0.38) GAANOX1MAPTMEN1KMT2A

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 2073/4885NOX1 2943/4885MAPT 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.