SCHEMBL613067

SCHEMBL613067

Cc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.60
CDK2 P24941 9/20 0.60
ROCK1 Q13464 9/20 0.60
CDC7 O00311 8/20 0.60
DBF4 Q9UBU7 8/20 0.60
PRKCQ Q04759 1/20 0.42
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL614622 0.87 ROCK1 (0.60) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL10279661 0.85 ROCK1 (0.58) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL612384 0.83 ROCK1 (0.64) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL612029 0.79 CDC7 (0.73) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL611800 0.77 CDC7 (0.72) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL611155 0.76 CDC7 (0.68) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL613694 0.70 CDC7 (0.79) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL614286 0.70 ROCK1 (0.70) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL613654 0.69 CDC7 (1.00) CCNE1CDK2ROCK1CDC7DBF4
SCHEMBL613466 0.68 CDC7 (0.59) CCNE1CDK2ROCK1CDC7DBF4

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 5 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

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 CCNE1 158/4885CDK2 41/4885ROCK1 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.