SCHEMBL611917

SCHEMBL611917

O=C1NC2(CCCCC2)Nc2c1sc(-c1cn[nH]c1)c2Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.51
DBF4 Q9UBU7 10/20 0.51
CCNE1 P24864 8/20 0.51
CDK2 P24941 8/20 0.51
ROCK1 Q13464 8/20 0.51
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL611780 0.80 CDC7 (0.61) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL611907 0.75 CDC7 (0.67) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL614152 0.74 CDC7 (0.72) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL614124 0.73 CDC7 (0.66) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL614240 0.73 CDC7 (0.53) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL612281 0.68 CDC7 (1.00) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL613553 0.62 CDC7 (0.70) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL614653 0.61 CDC7 (0.57) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL613725 0.60 CDC7 (0.71) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL11725186 0.60 ALDH1A1 (0.40) CDC7DBF4CCNE1CDK2ROCK1

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
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 1/4885DBF4 593/4885CCNE1 158/4885

“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.