SCHEMBL1613712

SCHEMBL1613712

CC(=O)Nc1cc(Br)cc2c1ccn2-c1ccnc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.54
▸ CDK2 P24941 3/20 0.54
▸ MAP3K14 Q99558 1/20 0.54
▸ ROCK1 Q13464 17/20 0.52
▸ TTBK1 Q5TCY1 1/20 0.43

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
SCHEMBL13575038 0.87 ROCK1 (0.52) CDC7CDK2ROCK1TTBK1
SCHEMBL12743487 0.84 ROCK1 (0.47) CDC7CDK2ROCK1TTBK1
SCHEMBL1613473 0.79 CDC7 (0.64) CDC7CDK2MAP3K14ROCK1TTBK1
SCHEMBL1613992 0.77 PAK4 (0.46) CDC7CDK2MAP3K14ROCK1TTBK1
SCHEMBL1612241 0.76 CDC7 (0.63) CDC7CDK2MAP3K14ROCK1TTBK1
SCHEMBL1613399 0.72 CDC7 (0.57) CDC7CDK2MAP3K14ROCK1TTBK1
SCHEMBL24153582 0.71 CDC7 (1.00) CDC7CDK2MAP3K14ROCK1
SCHEMBL24152590 0.70 CDC7 (0.51) CDC7CDK2MAP3K14ROCK1
SCHEMBL31618794 0.69 CDC7 (0.56) CDC7CDK2MAP3K14ROCK1
SCHEMBL12821427 0.68 ROCK1 (1.00) ROCK1

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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 CDC7 1006/4885CDK2 1037/4885MAP3K14 17/4885

“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.

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