SCHEMBL613616

SCHEMBL613616

Cc1[nH]ncc1-c1cc2c(s1)C(=O)NC1(CCN(c3ccccn3)CC1)N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.65
CCNE1 P24864 11/20 0.65
CDK2 P24941 11/20 0.65
ROCK1 Q13464 11/20 0.65
DBF4 Q9UBU7 11/20 0.65
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL613894 0.87 CDC7 (0.70) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL611796 0.82 CDC7 (0.71) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL612404 0.81 ROCK1 (0.66) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614184 0.80 CDC7 (0.74) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614086 0.79 CDC7 (0.71) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL13190669 0.79 CDC7 (0.81) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL611795 0.78 CDC7 (0.70) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614668 0.78 CDC7 (0.80) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL613472 0.77 CDC7 (0.68) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614176 0.76 CDC7 (0.77) CDC7CCNE1CDK2ROCK1DBF4

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 6 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

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 1/4885CCNE1 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.