SCHEMBL78255

SCHEMBL78255

Cc1cc(C(F)(F)F)nc(C(C#N)=C2Nc3ccc(N)cc3N2)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.32
MET P08581 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL78254 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1MAPTMETADORA2A
SCHEMBL76754 0.82 CYP1A2 (0.41) MAPTMEN1KMT2AHSD17B10
SCHEMBL25786219 0.73 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAPTADORA2AADORA1
SCHEMBL76658 0.72 CYP3A4 (0.37) MEN1KMT2A
SCHEMBL76928 0.67 HSP90AA1 (0.40) HSP90AA1HSP90AB1MAPTADORA2AADORA1
SCHEMBL24133941 0.65 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL76787 0.62 SGK1 (0.39) MAPTMEN1KMT2AHSD17B10
SCHEMBL76788 0.62 SGK1 (0.39) MAPTMEN1KMT2AHSD17B10
SCHEMBL5361699 0.60 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADORA2AADORA1KDM4E
SCHEMBL18299043 0.60 HSP90AA1 (0.64) HSP90AA1HSP90AB1ADORA2AADORA1KDM4E

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 HSP90AA1 1413/4885HSP90AB1 1350/4885MAPT 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.