SCHEMBL1013296

SCHEMBL1013296

COc1ccc(NC(=O)Oc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.51
KDM4E B2RXH2 2/20 0.50
S1PR1 P21453 2/20 0.50
BRAF P15056 1/20 0.49
FAAH O00519 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
THRB P10828 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAF1 P04049 1/20 0.48
KIT P10721 1/20 0.48
PDGFRA P16234 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL1011920 0.90 POLB (0.63) POLBALDH1A1MAPTGAAHTT
SCHEMBL16907496 0.84 ALDH1A1 (0.55) POLBALDH1A1MAPTGAAHTT
SCHEMBL28393944 0.84 POLB (0.77) POLBALDH1A1MAPTGAAHTT
SCHEMBL14945015 0.84 POLB (0.65) POLBALDH1A1MAPTGAAHTT
SCHEMBL29454312 0.83 GRM4 (0.55) POLBALDH1A1MAPTGAACYP1A2
SCHEMBL15542454 0.83 GRM4 (0.55) POLBALDH1A1MAPTGAACYP1A2
SCHEMBL1014865 0.82 POLB (0.49) POLBALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1781567 0.82 CYP2C9 (0.55) MAPTGAAHTTSMN1; SMN2CYP1A2
SCHEMBL5494349 0.82 MAPT (0.65) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL3644038 0.82 KDR (0.62) POLBALDH1A1MAPTGAAHTT

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 21 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-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP 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-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US 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-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2016-07-14 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 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
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 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 (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-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents BRAF, RAF1, ARAF POLB 3140/4885ALDH1A1 4211/4885MAPT 2328/4885
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF POLB 2074/4885ALDH1A1 2803/4885MAPT 3020/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2867/4885ALDH1A1 2988/4885MAPT 1517/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2074/4885ALDH1A1 2803/4885MAPT 3020/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2074/4885ALDH1A1 2803/4885MAPT 3020/4885
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS BRAF, ARAF, RAF1 POLB 3137/4885ALDH1A1 3903/4885MAPT 1603/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2074/4885ALDH1A1 2803/4885MAPT 3020/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2074/4885ALDH1A1 2803/4885MAPT 3020/4885

“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.