SCHEMBL614070

SCHEMBL614070

CC(C)(C)N(CC(=O)N1CCC2(CC1)NC(=O)c1sc(-c3ccncc3)cc1N2)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 15/20 0.56
CDC7 O00311 14/20 0.56
DBF4 Q9UBU7 14/20 0.56
CCNE1 P24864 13/20 0.56
CDK2 P24941 13/20 0.56
CYP46A1 Q9Y6A2 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL612018 0.92 ROCK1 (0.56) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL613701 0.83 CDC7 (0.66) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL613656 0.82 ROCK1 (0.62) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL612621 0.82 CDC7 (0.62) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL612136 0.82 ROCK1 (0.70) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL612014 0.81 ROCK1 (0.61) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL614079 0.81 ROCK1 (0.60) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL613680 0.81 ROCK1 (0.60) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL613283 0.81 ROCK1 (0.62) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL613316 0.80 ROCK1 (0.51) ROCK1CDC7DBF4CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2609/4885CDC7 1/4885DBF4 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.