SCHEMBL1012527

SCHEMBL1012527

COCCOc1cc(N)c(C(=O)OC)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
GAA P10253 5/20 0.50
POLB P06746 2/20 0.48
ALDH1A1 P00352 8/20 0.44
HPGD P15428 5/20 0.44
MAPT P10636 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.42
ABL1 P00519 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1012713 1.00 KDM4E (0.73) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL3470108 0.95 KDM4E (0.65) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL13027979 0.89 KDM4E (0.54) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL22056915 0.88 KDM4E (0.73) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL14705178 0.88 KDM4E (0.73) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL5500188 0.87 KDM4E (0.55) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL14418089 0.87 KDM4E (0.71) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL1011896 0.87 KDM4E (0.71) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL1013016 0.87 KDM4E (0.71) KDM4EGAAPOLBALDH1A1HPGD
SCHEMBL1011427 0.87 KDM4E (0.71) KDM4EGAAPOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES BioVersys AG (CH) 2022-01-27 US disclosed
WO-2020109350-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES BioVersys AG (CH) 2020-06-04 WO disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
US-9320739-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-04-26 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
US-20080234300-A1 Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof WYETH (US) 2008-09-25 US disclosed
WO-2008109599-A1 PYRIMIDO [5,4-C] QUINOLINE-2, 4-DIAMINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2008-09-12 WO disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO disclosed
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 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 (8 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF KDM4E 1824/4885GAA 2536/4885POLB 2074/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 2179/4885GAA 2627/4885POLB 2867/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1824/4885GAA 2536/4885POLB 2074/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDM4E 1824/4885GAA 2536/4885POLB 2074/4885
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 KDM4E 1380/4885GAA 2151/4885POLB 1514/4885
US-20220024928-A1 3-(PHENYLSULFONYL)-[1,2,3]TRIAZOLO[1,5A]QUINAZOLIN-5(4H)-ONE DERIVATIVES OR10J3, ORC3, CBR3 KDM4E 3240/4885GAA 4757/4885POLB 3126/4885
US-20080234300-A1 Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof DCK, PDK4, PDK2 KDM4E 870/4885GAA 1223/4885POLB 828/4885
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 KDM4E 1909/4885GAA 688/4885POLB 1191/4885

“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.