SCHEMBL1353154

SCHEMBL1353154

O=C(O)c1c[nH]c2cccc(C(F)(F)F)c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 1/20 0.41
MDH2 P40926 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AHR P35869 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL11793596 0.89 CTNNB1 (0.49) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL12606659 0.87 CTNNB1 (0.42) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL29464955 0.87 ALDH1A1 (0.46) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL12606661 0.87 PBRM1 (0.46) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL1350659 0.80 KDM4E (0.67) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL2971998 0.80 CYP1A2 (0.55) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL28638495 0.80 HPGD (0.47) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL30065611 0.80 HPGD (0.47) CYP1A2HSD17B10HPGDALDH1A1MEN1
SCHEMBL11793589 0.80 CTNNB1 (0.49) ALDH1A1MEN1KMT2ACTNNB1WNT3A
SCHEMBL397484 0.78 CYP1A2 (0.56) CYP1A2HSD17B10HPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 US disclosed
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 US disclosed
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 US disclosed
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 US disclosed
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 US disclosed
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 US disclosed
CN-102666546-B Solid forms of N- (4- (7-azabicyclo [2.2.1] hept-7-yl) -2- (trifluoromethyl) phenyl) -4-oxo-5- (trifluoromethyl) -1, 4-dihydroquinoline-3-carboxamide VERTEX PHARMACEUTICALS INC. (US) 2015-09-09 CN disclosed
US-20150164881-A1 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMA (US) 2015-06-18 US disclosed
US-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMA (US) 2015-06-18 US disclosed
US-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMA (US) 2015-06-18 US disclosed
US-20100130547-A1 SOLID FORMS OF N-(4-(7-AZABICYCLO[2.2.1]HEPTAN-7-YL)-2-(TRIFLUORORMETHYL)PHENYL)-4-OXO-5-(TRIFLUOROMETHYL)-1,4-DIHYROQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 US disclosed
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-06 US disclosed
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-06 US disclosed
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-05-06 US disclosed
WO-2010048573-A1 SOLID FORMS OF N-(4-(7-AZABICYCLO[2.2.1]HEPTAN-7-YL)-2-(TRIFLUOROMETHYL)PHENYL)-4-OXO-5-(TRIFLUOROMETHYL)-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 WO disclosed
WO-2010048564-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 WO disclosed
WO-2010048526-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, INCORPORATED (US) 2010-04-29 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 (7 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-20150164883-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF CFTR, ABCB11, SLC26A4 CYP1A2 760/4885HSD17B10 1493/4885HPGD 1113/4885
US-20100113508-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B CYP1A2 3995/4885HSD17B10 2136/4885HPGD 1015/4885
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, SLC26A4 CYP1A2 760/4885HSD17B10 1493/4885HPGD 1113/4885
US-20160022664-A2 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, ABCC5 CYP1A2 789/4885HSD17B10 1386/4885HPGD 1372/4885
US-20150164881-A1 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, ABCC5 CYP1A2 789/4885HSD17B10 1386/4885HPGD 1372/4885
US-20100113509-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CYP1A2 3995/4885HSD17B10 2136/4885HPGD 1015/4885
US-20100130547-A1 SOLID FORMS OF N-(4-(7-AZABICYCLO[2.2.1]HEPTAN-7-YL)-2-(TRIFLUORORMETHYL)PHENYL)-4-OXO-5-(TRIFLUOROMETHYL)-1,4-DIHYROQUINOLINE-3-CARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, AZI2 CYP1A2 26/4885HSD17B10 2377/4885HPGD 1642/4885

“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.