SCHEMBL611091

SCHEMBL611091

CCCCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 15/20 0.87
DBF4 Q9UBU7 14/20 0.87
ROCK1 Q13464 12/20 0.87
CCNE1 P24864 10/20 0.87
CDK2 P24941 10/20 0.87
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 2/20 0.34

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
SCHEMBL614706 0.93 CDC7 (1.00) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL614690 0.88 CDC7 (1.00) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613594 0.83 CDC7 (0.78) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613705 0.81 CDC7 (1.00) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL611608 0.80 CDC7 (0.73) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613530 0.80 CDC7 (1.00) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613132 0.79 CDC7 (0.75) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL10238396 0.79 ROCK1 (0.70) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL614611 0.79 CDC7 (0.70) CDC7DBF4ROCK1CCNE1CDK2
SCHEMBL613819 0.79 CDC7 (0.70) CDC7DBF4ROCK1CCNE1CDK2

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 CDC7 1/4885DBF4 593/4885ROCK1 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.