SCHEMBL86000

SCHEMBL86000

CC(=O)/C(C#N)=C1\Cc2ccccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.49
AHR P35869 1/20 0.42
PDK2 Q15119 1/20 0.42
MAPT P10636 7/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HIF1A Q16665 3/20 0.39
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
HK1 P19367 1/20 0.39

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
SCHEMBL9617999 0.75 NPC1 (0.50) PTK2BSMN1; SMN2TP53ALOX15ALDH1A1
Acridan SCHEMBL6390851 0.71 AHR (0.55) SMN1; SMN2ALOX15ALDH1A1AHRPDK2
SCHEMBL85782 0.69 ALDH1A1 (0.48) PTK2BSMN1; SMN2TP53ALOX15HTT
Oxindole SCHEMBL27864651 0.67 AHR (0.78) PTK2BALDH1A1AHRPDK2MAPT
Oxindole SCHEMBL26640330 0.67 AHR (0.78) ALDH1A1AHRPDK2MAPTRAB9A
Acridan SCHEMBL29006126 0.66 MAPT (0.62) ALOX15ALDH1A1AHRPDK2MAPT
Acridan SCHEMBL4012624 0.64 MAPT (0.60) ALOX15ALDH1A1AHRPDK2MAPT
Acridan SCHEMBL29446489 0.63 MAPT (0.65) ALOX15AHRPDK2MAPTRAB9A
Acridan SCHEMBL183367 0.63 MAPT (0.65) ALOX15AHRPDK2MAPTRAB9A
Acridan SCHEMBL20594012 0.63 MAPT (0.65) ALOX15AHRPDK2MAPTRAB9A

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 PTK2B 47/4885SMN1; SMN2 3379/4885TP53 702/4885

“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.