SCHEMBL612252

SCHEMBL612252

CN1c2cc(-c3ccnc4[nH]ccc34)sc2C(=O)NC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.57
CDK2 P24941 7/20 0.57
CDC7 O00311 7/20 0.57
CCNE1 P24864 6/20 0.57
DBF4 Q9UBU7 6/20 0.57
ROCK2 O75116 6/20 0.42
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
PRKCI P41743 3/20 0.39
GSK3B P49841 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 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
SCHEMBL614321 0.82 CDC7 (0.58) ROCK1CDK2CDC7CCNE1DBF4
SCHEMBL613653 0.73 ROCK1 (1.00) ROCK1CDK2CDC7CCNE1DBF4
SCHEMBL612015 0.71 CDC7 (1.00) ROCK1CDK2CDC7CCNE1DBF4
SCHEMBL612142 0.69 CDC7 (1.00) ROCK1CDK2CDC7CCNE1DBF4
SCHEMBL23485569 0.69 CCNK (0.38) ROCK1ROCK2AURKAAURKBINCENP
SCHEMBL30274206 0.69 CCNK (0.38) ROCK1ROCK2AURKAAURKBINCENP
SCHEMBL613807 0.68 CDC7 (1.00) ROCK1CDK2CDC7CCNE1DBF4
SCHEMBL13190797 0.68 CDC7 (0.66) ROCK1CDK2CDC7CCNE1DBF4
SCHEMBL614316 0.67 CDC7 (1.00) ROCK1CDK2CDC7CCNE1DBF4
SCHEMBL614175 0.66 CDC7 (0.61) ROCK1CDK2CDC7CCNE1DBF4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691828-B2 Thienopyrimidine as CDC7 kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
US-8691828-B2 Thienopyrimidine as CDC7 kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-08 US disclosed
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK ROCK1 2609/4885CDK2 41/4885CDC7 1/4885

“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.