SCHEMBL78608

SCHEMBL78608

CCN(CC)CC(=O)N(CC)c1ccc2c(c1)N/C(=C(\C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.33

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
SCHEMBL86098 1.00 POLQ (0.33) POLQ
SCHEMBL78609 1.00 POLQ (0.33) POLQ
SCHEMBL78078 0.85 KMT2A (0.33) POLQ
SCHEMBL86079 0.85 KMT2A (0.33) POLQ
SCHEMBL78079 0.85 KMT2A (0.33) POLQ
SCHEMBL86468 0.83 ALDH1A1 (0.40)
SCHEMBL76887 0.83 ALDH1A1 (0.40)
SCHEMBL86506 0.81 POLQ (0.33) POLQ
SCHEMBL78247 0.81 POLQ (0.34) POLQ
SCHEMBL78246 0.81 POLQ (0.34) POLQ

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 claimed
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 claimed

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 POLQ 2910/4885

“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.