SCHEMBL613977

SCHEMBL613977

O=C1NC2(CCN(C(=O)c3ccccc3)CC2)Nc2cc(-c3ccncc3)sc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.65
CCNE1 P24864 9/20 0.65
CDK2 P24941 9/20 0.65
CDC7 O00311 9/20 0.65
DBF4 Q9UBU7 9/20 0.65
CYP2C19 P33261 8/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2C9 P11712 6/20 0.48
USP2 O75604 6/20 0.48
CYP2D6 P10635 6/20 0.48
CYP1A2 P05177 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HIF1A Q16665 4/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL613280 0.96 CDC7 (0.70) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL611799 0.92 CDC7 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL614658 0.89 ROCK1 (0.62) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL612136 0.86 ROCK1 (0.70) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL612605 0.86 ROCK1 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL613818 0.86 ROCK1 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL612014 0.86 ROCK1 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL613682 0.84 ROCK1 (0.59) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL614047 0.83 ROCK1 (0.58) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL614022 0.83 ROCK1 (0.66) 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 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
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
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO 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.