SCHEMBL9933287

SCHEMBL9933287

CCOc1n[nH]c2ncc(NC(=O)c3c(Cl)ccc(OCc4ccccc4)c3F)cc12

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.55

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
SCHEMBL1496222 0.92 BRAF (0.62) BRAF
SCHEMBL1496233 0.92 BRAF (0.54) BRAF
SCHEMBL9932957 0.91 BRAF (0.53) BRAF
SCHEMBL1496169 0.91 BRAF (0.51) BRAF
SCHEMBL1496188 0.91 BRAF (0.51) BRAF
SCHEMBL9933164 0.91 BRAF (0.51) BRAF
SCHEMBL9932808 0.90 BRAF (0.50) BRAF
SCHEMBL1496220 0.89 BRAF (0.50) BRAF
SCHEMBL1496174 0.87 BRAF (0.48) BRAF
SCHEMBL9933660 0.87 BRAF (0.64) BRAF

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
EP-3589611-B1 EFFICIENT SCALABLE SYNTHESES OF ABSCISIC ACID, 8'-ACETYLENE ABSCISIC ACID AND 8'-CYCLOPROPYL ABSCISIC ACID NAT RES COUNCIL CANADA (CA) 2021-10-27 EP disclosed
US-9725392-B2 Efficient scalable syntheses of abscisic acid, 8′-acetylene abscisic acid and 8′-cyclopropyl abscisic acid NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-08-08 US disclosed
US-9725392-B2 Efficient scalable syntheses of abscisic acid, 8′-acetylene abscisic acid and 8′-cyclopropyl abscisic acid NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-08-08 US disclosed
US-20170057899-A1 EFFICIENT SCALABLE SYNTHESES OF ABSCISIC ACID, 8'-ACETYLENE ABSCISIC ACID AND 8'-CYCLOPROPYL ABSCISIC ACID NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-03-02 US disclosed
US-20170057899-A1 EFFICIENT SCALABLE SYNTHESES OF ABSCISIC ACID, 8'-ACETYLENE ABSCISIC ACID AND 8'-CYCLOPROPYL ABSCISIC ACID NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-03-02 US disclosed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US disclosed
US-9173395-B2 Use of substituted isoquinolinones, isoquinolindiones, isoquinolintriones and dihydroisoquinolinones or in each case salts thereof as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 US disclosed
US-20140051577-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS FRACKENPOHL JENS (DE) 2014-02-20 US disclosed
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE GENENTECH, INC. (US) 2012-06-21 US disclosed
WO-2011025968-A1 1H-PYRAZOLO [ 3, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD BRAF 2617/4885
US-20120157452-A1 1H-PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS FOR INHIBITING RAF KINASE BRAF, RAF1, ARAF BRAF 1/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD BRAF 3577/4885
US-20170057899-A1 EFFICIENT SCALABLE SYNTHESES OF ABSCISIC ACID, 8'-ACETYLENE ABSCISIC ACID AND 8'-CYCLOPROPYL ABSCISIC ACID KDM6B, KMO, KAT6B BRAF 3642/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD BRAF 2617/4885
US-20140051577-A1 SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS RER1, ECH1, CYCS BRAF 3977/4885
US-20140302987-A1 USE OF SUBSTITUTED ISOQUINOLINONES, ISOQUINOLINDIONES, ISOQUINOLINTRIONES AND DIHYDROISOQUINOLINONES OR IN EACH CASE SALTS THEREOF AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS NQO1, NFE2, NDUFS1 BRAF 2680/4885
US-20140038822-A1 USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS STS, SCLY, TST BRAF 621/4885

“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.