SCHEMBL1012287

SCHEMBL1012287

COc1cc(NC(=O)Oc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.57
TMPRSS4 Q9NRS4 2/20 0.53
EPHX2 P34913 1/20 0.53
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.50
P2RX1 P51575 2/20 0.49
CYP1A2 P05177 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TRPA1 O75762 1/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
GFER P55789 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
SCHEMBL2652670 0.89 P2RX1 (0.60) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL16907615 0.86 ALDH1A1 (0.62) ALDH1A1GAAMAPTP2RX1CYP1A2
SCHEMBL3983963 0.86 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2GAAPOLB
SCHEMBL1012618 0.86 BRAF (0.51) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL16907563 0.84 P2RX1 (0.51) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL30075158 0.84 P2RX1 (0.51) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL16907507 0.83 RXFP1 (0.52) ALDH1A1HTTSMN1; SMN2GAAPOLB
SCHEMBL1077965 0.83 SLC13A3 (0.59) ALDH1A1POLBMAPTP2RX1CYP1A2
SCHEMBL16907387 0.82 TRPA1 (0.58) ALDH1A1HTTSMN1; SMN2GAAMAPT
SCHEMBL15542459 0.81 BRAF (0.42) ALDH1A1GAAEPHX2MAPTP2RX1

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 16 patents. 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-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US 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

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 ALDH1A1 2803/4885HTT 3669/4885SMN1; SMN2 3316/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2988/4885HTT 2344/4885SMN1; SMN2 3942/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885HTT 3669/4885SMN1; SMN2 3316/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885HTT 3669/4885SMN1; SMN2 3316/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885HTT 3669/4885SMN1; SMN2 3316/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2803/4885HTT 3669/4885SMN1; SMN2 3316/4885

“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.