SCHEMBL1011730

SCHEMBL1011730

CC(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.65
MAPK13 O15264 1/20 0.65
MAPK12 P53778 1/20 0.65
MAPK11 Q15759 1/20 0.65
KCNJ6 P48051 6/20 0.60
KCNJ5 P48544 6/20 0.60
KCNJ3 P48549 6/20 0.60
GAA P10253 4/20 0.53
ALDH1A1 P00352 3/20 0.53
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NTRK1 P04629 1/20 0.49
BRAF P15056 2/20 0.48
RAF1 P04049 1/20 0.48
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL15490413 0.93 KCNJ6 (0.65) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL1013255 0.92 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL1012237 0.91 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL2421498 0.90 KCNJ6 (0.64) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL1781687 0.86 KCNJ6 (0.52) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL13860934 0.84 NTRK1 (0.70) KCNJ6KCNJ5KCNJ3GAAALDH1A1
SCHEMBL30010428 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL1012616 0.81 MAPK13 (0.66) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL1015652 0.81 ALDH1A1 (0.54) MAPK14MAPK13MAPK12MAPK11KCNJ6
SCHEMBL13858692 0.80 FAAH (0.51) KCNJ6KCNJ5KCNJ3GAAALDH1A1

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 25 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
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP 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
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO 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 (5 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 MAPK14 145/4885MAPK13 117/4885MAPK12 139/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPK14 145/4885MAPK13 117/4885MAPK12 139/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPK14 145/4885MAPK13 117/4885MAPK12 139/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPK14 145/4885MAPK13 117/4885MAPK12 139/4885
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 MAPK14 722/4885MAPK13 339/4885MAPK12 394/4885

“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.