SCHEMBL614685

SCHEMBL614685

CN1c2cc(-c3cn[nH]c3)sc2C(=O)NC12CCC(F)(F)CC2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 14/20 0.69
DBF4 Q9UBU7 14/20 0.69
ROCK1 Q13464 12/20 0.69
CDK2 P24941 11/20 0.69
CCNE1 P24864 10/20 0.69
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKCQ Q04759 1/20 0.33
ROCK2 O75116 1/20 0.32
MKNK1 Q9BUB5 2/20 0.32
GSK3B P49841 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL613725 0.91 CDC7 (0.71) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL613553 0.90 CDC7 (0.70) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL612142 0.82 CDC7 (1.00) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL613707 0.77 CDC7 (0.72) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL614152 0.68 CDC7 (0.72) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL613712 0.68 CDC7 (0.64) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL614124 0.68 CDC7 (0.66) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL612030 0.67 CDC7 (0.65) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL611679 0.67 CDC7 (0.71) CDC7DBF4ROCK1CDK2CCNE1
SCHEMBL611907 0.67 CDC7 (0.67) CDC7DBF4ROCK1CDK2CCNE1

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 1/4885DBF4 593/4885ROCK1 2609/4885

“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.