SCHEMBL611799

SCHEMBL611799

O=C1NC2(CCN(C(=O)c3cccnc3)CC2)Nc2cc(-c3ccncc3)sc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.61
ROCK1 Q13464 10/20 0.61
DBF4 Q9UBU7 10/20 0.61
CCNE1 P24864 9/20 0.61
CDK2 P24941 9/20 0.61
PKM P14618 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL613977 0.92 ROCK1 (0.65) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL613280 0.91 CDC7 (0.70) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL614658 0.84 ROCK1 (0.62) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL612136 0.83 ROCK1 (0.70) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL614022 0.81 ROCK1 (0.66) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL613701 0.81 CDC7 (0.66) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL614242 0.81 ROCK1 (0.66) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL612605 0.80 ROCK1 (0.61) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL612014 0.80 ROCK1 (0.61) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL613818 0.80 ROCK1 (0.61) CDC7ROCK1DBF4CCNE1CDK2

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 1/4885ROCK1 2609/4885DBF4 593/4885

“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.