SCHEMBL85782

SCHEMBL85782

N#C/C(=C1/Cc2ccccc2N1)c1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
PTK2B Q14289 2/20 0.42
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
AHR P35869 1/20 0.38
PDK2 Q15119 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
HK1 P19367 1/20 0.38
RECQL P46063 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL13999059 0.78 ALDH1A1 (0.41) ALDH1A1PTK2BMAPTMEN1KMT2A
SCHEMBL76409 0.74 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL85821 0.72 PTK2B (0.44) ALDH1A1PTK2BMAPTMEN1KMT2A
SCHEMBL86000 0.69 PTK2B (0.56) ALDH1A1PTK2BMAPTMEN1KMT2A
SCHEMBL77651 0.68 GAA (0.45) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL77650 0.68 GAA (0.45) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9617999 0.67 NPC1 (0.50) ALDH1A1PTK2BMAPTMEN1KMT2A
Acridan SCHEMBL29006126 0.65 MAPT (0.62) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12396549 0.64 NPC1 (0.47) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL11812093 0.64 SRC (0.49) MAPTMEN1KMT2ANPC1MAPK1

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 2 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-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

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 ALDH1A1 1651/4885PTK2B 47/4885MAPT 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.