SCHEMBL613316

SCHEMBL613316

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)c1sc(-c3ccncc3)cc1N2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.51
CCNE1 P24864 12/20 0.51
CDK2 P24941 12/20 0.51
CDC7 O00311 12/20 0.51
DBF4 Q9UBU7 12/20 0.51
USP19 O94966 1/20 0.34
CYP46A1 Q9Y6A2 5/20 0.34
CHRM1 P11229 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
SCHEMBL10238474 0.82 CCNE1 (0.48) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL612014 0.80 ROCK1 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL614070 0.80 ROCK1 (0.56) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL612018 0.80 ROCK1 (0.56) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL613682 0.79 ROCK1 (0.59) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL614047 0.78 ROCK1 (0.58) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL613977 0.78 ROCK1 (0.65) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL612136 0.77 ROCK1 (0.70) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL614576 0.77 ROCK1 (0.66) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL613283 0.76 ROCK1 (0.62) ROCK1CCNE1CDK2CDC7DBF4

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 2609/4885CCNE1 158/4885CDK2 41/4885

“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.