SCHEMBL612106

SCHEMBL612106

CC(C)Nc1cc(-c2ccncc2)sc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.48
PTPRF P10586 3/20 0.48
PTPRA P18433 3/20 0.48
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
MELK Q14680 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL614239 0.88 CDC7 (0.59) CDC7DBF4MELK
SCHEMBL8239558 0.87 PTPN1 (0.62) PTPN1PTPRFPTPRAMEN1POLB
SCHEMBL613722 0.86 KDM4E (0.52) CDC7DBF4MELKPOLBMAPT
SCHEMBL611492 0.84 IKBKB (0.52) PTPN1PTPRFPTPRACDC7DBF4
SCHEMBL613433 0.81 PTPN1 (0.48) PTPN1PTPRFPTPRACDC7DBF4
SCHEMBL14048862 0.80 POLB (0.59) PTPN1PTPRFPTPRAMEN1POLB
SCHEMBL611071 0.78 KDM6B (0.50) PTPN1PTPRFPTPRACDC7DBF4
SCHEMBL613639 0.76 KDM6B (0.52) PTPN1PTPRFPTPRACDC7DBF4
SCHEMBL24131788 0.76 PTPN1 (0.52) PTPN1PTPRFPTPRACDC7DBF4
SCHEMBL12328850 0.75 NFKB1 (0.43) PTPN1PTPRFPTPRAMEN1MAPT

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 PTPN1 671/4885PTPRF 769/4885PTPRA 1313/4885

“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.