SCHEMBL613701

SCHEMBL613701

NCC(=O)N1CCC2(CC1)NC(=O)c1sc(-c3ccncc3)cc1N2

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 17/20 0.66
DBF4 Q9UBU7 17/20 0.66
ROCK1 Q13464 15/20 0.66
CCNE1 P24864 13/20 0.66
CDK2 P24941 13/20 0.66
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL613656 0.87 ROCK1 (0.62) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL612621 0.87 CDC7 (0.62) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613280 0.87 CDC7 (0.70) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL612136 0.87 ROCK1 (0.70) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL612014 0.87 ROCK1 (0.61) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL3790886 0.86 ROCK1 (0.58) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL614079 0.86 ROCK1 (0.60) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613680 0.86 ROCK1 (0.60) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613816 0.85 ROCK1 (0.59) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613682 0.85 ROCK1 (0.59) CDC7DBF4ROCK1CCNE1CDK2

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 7 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
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 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-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.