SCHEMBL613554

SCHEMBL613554

COC(=O)c1sc(Br)cc1NCC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
RAF1 P04049 3/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK14 Q16539 4/20 0.33
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 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
SCHEMBL614698 0.82 GSK3B (0.36) GSK3BIKBKB
SCHEMBL613592 0.82 KDM4E (0.40) PPARGNCOA1NPSR1NCOA3RAF1
SCHEMBL612156 0.78 MAPT (0.42) PPARGNCOA1NPSR1NCOA3RAF1
SCHEMBL669321 0.76 RAF1 (0.39) PPARGNCOA1NPSR1NCOA3RAF1
SCHEMBL23452086 0.75 CA1 (0.49) NPSR1KDM4EMAPTALDH1A1LMNA
SCHEMBL21411362 0.74 ALDH1A1 (0.58) PPARGNCOA1NPSR1NCOA3RAF1
SCHEMBL1458749 0.74 RAF1 (0.46) RAF1MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL612035 0.73 POLB (0.49) KDM4EMAPTALDH1A1LMNAL3MBTL1
SCHEMBL1406076 0.73 MAPT (0.47) PPARGNCOA1NPSR1NCOA3RAF1
SCHEMBL612016 0.72 MAPK14 (0.41) PPARGNCOA1NPSR1NCOA3RAF1

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 PPARG 4726/4885NCOA1 2216/4885NPSR1 4713/4885

“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.