SCHEMBL58970

SCHEMBL58970

CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)nc2)OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.60
PDGFRB P09619 7/20 0.60
TEK Q02763 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DYRK3 O43781 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
BRAF P15056 3/20 0.42

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
SCHEMBL12346305 0.90 KDR (0.50) KDRPDGFRBTEKMEN1KMT2A
SCHEMBL2238439 0.88 PDGFRB (0.49) KDRPDGFRBTEKMEN1KMT2A
SCHEMBL2237867 0.87 PDGFRB (0.48) KDRPDGFRBMEN1KMT2ANPC1
SCHEMBL57891 0.85 KDR (0.55) KDRPDGFRBCA12CA1CA2
SCHEMBL57825 0.85 KDR (0.61) KDRPDGFRBTEKCA12CA1
SCHEMBL31212719 0.85 KDR (0.61) KDRPDGFRBTEKCA12CA1
SCHEMBL58603 0.84 KDR (0.49) KDRPDGFRBMEN1KMT2ANPC1
SCHEMBL59016 0.83 KDR (0.53) KDRPDGFRBCA12CA1CA2
SCHEMBL59878 0.83 KDR (0.53) KDRPDGFRBCA12CA1CA2
SCHEMBL3666256 0.83 SMN1; SMN2 (0.59) KDRPDGFRBMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8242139-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2012-08-14 US disclosed
EP-2452937-A1 Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-05-16 EP disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
EP-2142521-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
WO-2008134693-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1845978-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-24 EP disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 WO disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 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 (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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 KDR 1690/4885PDGFRB 1177/4885TEK 2638/4885
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT KDR 4482/4885PDGFRB 3184/4885TEK 1985/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT KDR 4482/4885PDGFRB 3184/4885TEK 1985/4885
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 KDR 2947/4885PDGFRB 1523/4885TEK 3073/4885

“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.