SCHEMBL614047

SCHEMBL614047

O=C1NC2(CCN(C(=O)OCc3ccccc3)CC2)Nc2cc(-c3ccncc3)sc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.58
CCNE1 P24864 9/20 0.58
CDK2 P24941 9/20 0.58
CDC7 O00311 9/20 0.58
DBF4 Q9UBU7 9/20 0.58
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRIN2B Q13224 1/20 0.44
OPRK1 P41145 4/20 0.42
KDM1A O60341 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ENPP2 Q13822 2/20 0.41
ATXN2 Q99700 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
OPRD1 P41143 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL614242 0.84 ROCK1 (0.66) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL613818 0.81 ROCK1 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL614658 0.80 ROCK1 (0.62) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL612621 0.78 CDC7 (0.62) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL10238474 0.78 CCNE1 (0.48) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL611799 0.78 CDC7 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL611766 0.77 ROCK1 (0.58) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL611750 0.74 CDC7 (0.61) ROCK1CCNE1CDK2CDC7DBF4
SCHEMBL3223414 0.73 ENPP2 (0.45) OPRK1HTR1AADORA3HTR2CSLC6A3
SCHEMBL614700 0.73 ROCK1 (0.64) 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 7 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
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.