SCHEMBL612007

SCHEMBL612007

COC(=O)c1sc(-c2ccncc2)cc1NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 2/20 0.54
CDC7 O00311 2/20 0.52
DBF4 Q9UBU7 1/20 0.52
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
GSK3B P49841 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
IKBKB O14920 1/20 0.46

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
SCHEMBL614118 0.88 CDC7 (0.54) MAPTKDM4ECDC7DBF4GSK3B
SCHEMBL23451959 0.87 KDM4E (0.57) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL614262 0.86 CDC7 (0.65) KDM4ECDC7DBF4GSK3BCLK4
SCHEMBL23452163 0.84 KDM4E (0.54) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL612006 0.84 KDM4E (0.52) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL613988 0.82 KDM4E (0.50) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL613270 0.81 KDM4E (0.57) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL612320 0.80 KDM4E (0.48) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL12357351 0.79 PTPN1 (0.61) MAPTPOLBIKBKB
SCHEMBL612035 0.78 POLB (0.49) MAPTKDM4EALDH1A1LMNACDC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP 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 MAPT 2979/4885KDM4E 1319/4885ALDH1A1 1927/4885

“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.