SCHEMBL612016

SCHEMBL612016

COC(=O)c1sc(Br)cc1NC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.41
RAF1 P04049 11/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
PPARG P37231 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL26189260 0.85 RAF1 (0.41) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL13906531 0.84 RAF1 (0.45) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL3715482 0.83 PTPN5 (0.38) MAPT
SCHEMBL4147003 0.82 HPGD (0.42) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL21411362 0.81 ALDH1A1 (0.58) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL14434356 0.81 KDM4E (0.43) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL1406076 0.80 MAPT (0.47) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL4168848 0.80 MAPK14 (0.40) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL612156 0.79 MAPT (0.42) MAPK14RAF1KDM4EALDH1A1LMNA
SCHEMBL101455 0.78 RAF1 (0.42) MAPK14RAF1KDM4EALDH1A1LMNA

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
EP-3533797-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-09-04 EP disclosed
EP-2540728-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-04-10 EP disclosed
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
EP-2813509-B1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives ASTRAZENECA AB (SE) 2017-02-01 EP disclosed
EP-2813509-B1 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives ASTRAZENECA AB (SE) 2017-02-01 EP disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
EP-2721036-B1 NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS TAKEDA GMBH (DE) 2015-07-22 EP disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP 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
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2008002575-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-20070299062-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 US disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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 (5 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-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK14 1144/4885RAF1 825/4885KDM4E 1432/4885
US-20090156633-A1 Heterocyclic quinolone derivatives that inhbit prolyl hydroxylase activity EGLN3, HIF1AN, EGLN2 MAPK14 3427/4885RAF1 2596/4885KDM4E 873/4885
US-20070299062-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R MAPK14 2007/4885RAF1 4032/4885KDM4E 2926/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R MAPK14 1805/4885RAF1 3878/4885KDM4E 2607/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT MAPK14 1144/4885RAF1 825/4885KDM4E 1432/4885

“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.