SCHEMBL613382

SCHEMBL613382

CC1(C)NC(=O)c2sc(-c3ccnc(S(C)(=O)=O)n3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.55
CDC7 O00311 13/20 0.55
DBF4 Q9UBU7 13/20 0.55
CCNE1 P24864 12/20 0.55
CDK2 P24941 12/20 0.55

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
SCHEMBL614116 0.82 CDC7 (0.58) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL612601 0.72 CDC7 (0.72) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL613530 0.71 CDC7 (1.00) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL12917990 0.70 SDHB (0.35)
SCHEMBL2986306 0.68 IKBKB (0.48) CDC7
SCHEMBL2198259 0.67 KDM4E (0.38)
SCHEMBL612624 0.66 CDC7 (0.69) ROCK1CDC7DBF4CCNE1CDK2
SCHEMBL3568782 0.66 CDK2 (0.59) CCNE1CDK2
SCHEMBL7421078 0.65 GABRA1 (0.39)
SCHEMBL613712 0.64 CDC7 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.