SCHEMBL614118

SCHEMBL614118

O=C(O)c1sc(-c2ccncc2)cc1NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.54
CLK4 Q9HAZ1 4/20 0.54
GSK3B P49841 3/20 0.54
ROCK2 O75116 3/20 0.54
MAP4K4 O95819 3/20 0.54
MKNK2 Q9HBH9 2/20 0.54
KDM4C Q9H3R0 3/20 0.51
PTPN1 P18031 3/20 0.51
PTPRF P10586 1/20 0.51
KDM4E B2RXH2 1/20 0.51
KDM6B O15054 1/20 0.51
KDM4A O75164 1/20 0.51
KDM4D Q6B0I6 1/20 0.51
IKBKB O14920 1/20 0.49
PTPRA P18433 2/20 0.48
DBF4 Q9UBU7 3/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PRKACA P17612 3/20 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
SCHEMBL12357351 0.91 PTPN1 (0.61) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL614262 0.90 CDC7 (0.65) CDC7CLK4GSK3BROCK2MAP4K4
SCHEMBL27610463 0.89 PTPN1 (0.59) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL612007 0.88 MAPT (0.56) CDC7CLK4GSK3BROCK2MAP4K4
SCHEMBL613433 0.83 PTPN1 (0.48) CDC7PTPN1PTPRFKDM4EIKBKB
SCHEMBL611071 0.81 KDM6B (0.50) CDC7KDM4CPTPN1PTPRFKDM6B
SCHEMBL12922055 0.79 IKBKB (0.54) PTPN1PTPRFKDM4EIKBKBMEN1
SCHEMBL2157963 0.79 IKBKB (0.54) PTPN1PTPRFKDM4EIKBKBPTPRA
SCHEMBL613639 0.79 KDM6B (0.52) CDC7CLK4GSK3BROCK2MAP4K4
SCHEMBL611492 0.78 IKBKB (0.52) CDC7PTPN1PTPRFKDM4EIKBKB

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 4 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
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 CDC7 1/4885CLK4 1007/4885GSK3B 656/4885

“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.