SCHEMBL408172

SCHEMBL408172

CCOC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 1/20 0.60
DGAT1 O75907 12/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GLA P06280 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.47
CHEK1 O14757 1/20 0.47
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL18134645 0.89 NPSR1 (0.57) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL22324675 0.89 DGAT1 (0.55) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL4300650 0.89 NPSR1 (0.59) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL408901 0.89 NPC1 (0.60) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL24303811 0.88 CA12 (0.56) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL408365 0.88 DGAT1 (0.59) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL16691194 0.87 DGAT1 (0.55) NPSR1MAPK1DGAT1NPC1ALDH1A1
SCHEMBL443532 0.87 DGAT1 (0.52) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL4298281 0.87 DGAT1 (0.66) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL4299394 0.87 DGAT1 (0.61) NPSR1MAPK1DGAT1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087058-B1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES ISAGRO SPA (IT) 2017-09-06 EP disclosed
US-9676726-B2 Process for the regioselective synthesis of pyrazoles ISAGRO S.P.A. (IT) 2017-06-13 US disclosed
US-20160318874-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES FMC IP TECHNOLOGY GMBH (CH) 2016-11-03 US disclosed
EP-3087058-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES ISAGRO S.p.A. (IT) 2016-11-02 EP disclosed
WO-2015097658-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES ISAGRO S.P.A. (IT) 2015-07-02 WO disclosed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO disclosed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT NPSR1 3148/4885MAPK1 1790/4885DGAT1 2/4885
US-20160318874-A1 PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF PYRAZOLES CYP4F11, CYP2F1, CYP3A4 NPSR1 2503/4885MAPK1 1228/4885DGAT1 3565/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT NPSR1 3148/4885MAPK1 1790/4885DGAT1 2/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NPSR1 2899/4885MAPK1 2805/4885DGAT1 2/4885

“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.