SCHEMBL614077

SCHEMBL614077

COC(=O)c1sc(Br)c(C)c1NC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 4/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
CISD2 Q8N5K1 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA2 P00918 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL3723045 0.85 GPR35 (0.39) TRPM8CA2L3MBTL1LMNAKDM4E
SCHEMBL5121549 0.79 GRM6 (0.49) ALDH1A1HPGDHSD17B10MAPTKMT2A
SCHEMBL613619 0.78 MAPT (0.41) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL14485231 0.73 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL2497494 0.72 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL613613 0.72 MAPT (0.58) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL3907317 0.71 MAPT (0.44) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL612016 0.71 MAPK14 (0.41) ALDH1A1HPGDMAPTCYP1A2CYP2C9
SCHEMBL17149284 0.70 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10TSHRMAPT
SCHEMBL5117031 0.70 KMT2A (0.46) ALDH1A1HPGDMAPTKMT2ALMNA

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 11 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
EP-2150251-B9 THIENOPYRIDINE AND THIAZOLOPYRIDINE DERIVATIVES THAT INHIBIT PROLYL HYDROXYLASE ACTIVITY AMGEN INC (US) 2013-02-27 EP disclosed
EP-2150251-B1 THIENOPYRIDINE AND THIAZOLOPYRIDINE DERIVATIVES THAT INHIBIT PROLYL HYDROXYLASE ACTIVITY AMGEN INC (US) 2012-06-27 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
US-8030346-B2 Heterocyclic quinolone derivatives that inhibit prolyl hydroxylase activity AMGEN INC. (US) 2011-10-04 US disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO disclosed
EP-2150251-A1 THIENOPYRIDINE AND THIAZOLOPYRIDINE DERIVATIVES THAT INHIBIT PROLYL HYDROXYLASE ACTIVITY Amgen, Inc (US) 2010-02-10 EP disclosed
US-20090156633-A1 Heterocyclic quinolone derivatives that inhbit prolyl hydroxylase activity AMGEN INC. (US) 2009-06-18 US disclosed
WO-2008137060-A1 THIENOPYRIDINE AND THIAZOLOPYRIDINE DERIVATIVES THAT INHIBIT PROLYL HYDROXYLASE ACTIVITY AMGEN INC. (US) 2008-11-13 WO disclosed
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 US 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 (3 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 ALDH1A1 1927/4885HPGD 2333/4885HSD17B10 2175/4885
US-20090156633-A1 Heterocyclic quinolone derivatives that inhbit prolyl hydroxylase activity EGLN3, HIF1AN, EGLN2 ALDH1A1 108/4885HPGD 16/4885HSD17B10 445/4885
US-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR ALDH1A1 1266/4885HPGD 3761/4885HSD17B10 1018/4885

“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.