SCHEMBL614653

SCHEMBL614653

O=C1NC2(CCCC2)Nc2cc(Br)sc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.57
CCNE1 P24864 7/20 0.57
CDK2 P24941 7/20 0.57
ROCK1 Q13464 7/20 0.57
DBF4 Q9UBU7 7/20 0.57
CHEK1 O14757 1/20 0.36
LIMK1 P53667 1/20 0.36
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
NR4A1 P22736 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33
APP P05067 1/20 0.33
TSHR P16473 1/20 0.33
SNCA P37840 1/20 0.33

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
SCHEMBL612349 0.75 CDC7 (0.54) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614251 0.73 CDC7 (1.00) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL613695 0.72 CDC7 (1.00) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614605 0.72 CDC7 (1.00) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614124 0.71 CDC7 (0.66) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL29403990 0.71 PDE7A (0.40) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL611907 0.70 CDC7 (0.67) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL614314 0.70 CDC7 (0.95) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL22060802 0.69 CHEK1 (0.41) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL612385 0.69 CDC7 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.