SCHEMBL613116

SCHEMBL613116

Cc1[nH]ncc1-c1cc2c(s1)C(=O)N[C@]1(CC[C@](O)(C3CCCCC3)CC1)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 20/20 1.00
ROCK1 Q13464 20/20 1.00
DBF4 Q9UBU7 20/20 1.00
CCNE1 P24864 19/20 1.00
CDK2 P24941 19/20 1.00
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CLK1 P49759 2/20 0.38
DAPK1 P53355 2/20 0.38
DMPK Q09013 2/20 0.38
DYRK1A Q13627 2/20 0.38
HIPK4 Q8NE63 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CDK3 Q00526 1/20 0.38

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
SCHEMBL613115 1.00 CDC7 (1.00) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL10238557 1.00 CDC7 (1.00) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL612385 0.86 CDC7 (1.00) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL612257 0.84 CDC7 (0.77) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL614176 0.82 CDC7 (0.77) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL614668 0.82 CDC7 (0.80) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL13190669 0.81 CDC7 (0.81) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL10279920 0.81 CDC7 (0.67) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL10238556 0.79 CDC7 (1.00) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL612048 0.79 CDC7 (1.00) CDC7ROCK1DBF4CCNE1CDK2

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 CDC7 1/4885ROCK1 2609/4885DBF4 593/4885

“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.