SCHEMBL1781542

SCHEMBL1781542

CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(Cc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.57
SORT1 Q99523 4/20 0.57
NPSR1 Q6W5P4 4/20 0.54
BRAF P15056 2/20 0.51
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49
AGTR1 P30556 1/20 0.49
RECQL P46063 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPK14 Q16539 2/20 0.47
P2RY14 Q15391 1/20 0.47
MAPK13 O15264 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
SCHEMBL1012925 0.88 MAPK14 (0.48) GRNSORT1NPSR1BRAFGAA
SCHEMBL4465670 0.86 MAPK14 (0.49) GRNSORT1BRAFRECQLMAPK14
SCHEMBL1013221 0.85 RAF1 (0.49) GRNSORT1NPSR1BRAFGAA
SCHEMBL23637699 0.83 MAPK14 (0.53) GAAMAPK14P2RY14MAPK13MAPK12
SCHEMBL1010615 0.83 MAPK14 (0.65) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL1012412 0.82 MAPK14 (0.60) BRAFGAACYP2C9CYP2C19MAPK14
SCHEMBL25488154 0.81 MAPK14 (0.44) GRNSORT1BRAFRECQLMAPK14
SCHEMBL19350918 0.81 MAPK14 (0.44) GRNSORT1NPSR1BRAFRECQL
SCHEMBL4459497 0.81 MAPK14 (0.50) BRAFGAARECQLMAPK14MAPK13
SCHEMBL1012616 0.80 MAPK13 (0.66) GAARECQLMAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 US disclosed
EP-1812433-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2015-07-22 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
US-7625922-B2 Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-01 US disclosed
US-7625922-B2 Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-01 US disclosed
US-7625922-B2 Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-01 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
EP-1812433-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS Cancer Research Technology Limited (GB) 2007-08-01 EP disclosed
WO-2006043090-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-04-27 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 (6 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 GRN 3832/4885SORT1 4001/4885NPSR1 4652/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF GRN 4205/4885SORT1 3415/4885NPSR1 3691/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF GRN 3832/4885SORT1 4001/4885NPSR1 4652/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF GRN 3832/4885SORT1 4001/4885NPSR1 4652/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF GRN 3832/4885SORT1 4001/4885NPSR1 4652/4885
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds NR2E1, NR0B1, BRAF GRN 3052/4885SORT1 3571/4885NPSR1 2597/4885

“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.