SCHEMBL1012448

SCHEMBL1012448

COc1cc2ncnc(Oc3cccc(N)c3)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.73
EGFR P00533 3/20 0.73
LCK P06239 2/20 0.73
RET P07949 2/20 0.73
KIF5B P33176 1/20 0.73
BRAF P15056 5/20 0.61
RAF1 P04049 2/20 0.61
CSF1R P07333 1/20 0.61
PDGFRB P09619 1/20 0.61
FLT4 P35916 1/20 0.61
FLT3 P36888 1/20 0.61
MET P08581 2/20 0.59
AURKA O14965 1/20 0.59
TEK Q02763 1/20 0.59
AURKB Q96GD4 1/20 0.59

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
SCHEMBL1011699 0.93 KDR (0.64) KDREGFRLCKRETKIF5B
SCHEMBL1011750 0.93 KDR (0.64) KDREGFRLCKRETKIF5B
SCHEMBL13680234 0.91 KDR (0.61) KDREGFRLCKRETKIF5B
SCHEMBL1015360 0.91 KDM1A (0.66) KDREGFRLCKRETKIF5B
SCHEMBL1013149 0.90 KDR (0.67) KDREGFRLCKRETKIF5B
SCHEMBL1011413 0.90 KDR (0.67) KDREGFRLCKRETKIF5B
SCHEMBL1011381 0.90 PDGFRB (0.66) KDREGFRLCKRETKIF5B
SCHEMBL1016085 0.90 PDGFRB (0.66) KDREGFRLCKRETKIF5B
Ammonia Solution, Strong SCHEMBL1010619 0.90 KDM1A (0.65) KDREGFRLCKRETKIF5B
SCHEMBL20229657 0.85 KDR (0.74) KDREGFRLCKRETKIF5B

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 49 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
US-9987281-B2 Solid state forms of a quinazoline derivative and its use as a BRAF inhibitor IGNYTA, INC. (US) 2018-06-05 US disclosed
US-9987281-B2 Solid state forms of a quinazoline derivative and its use as a BRAF inhibitor IGNYTA, INC. (US) 2018-06-05 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
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-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
US-20170290833-A1 SOLID STATE FORMS OF A QUINAZOLINE DERIVATIVE AND ITS USE AS A BRAF INHIBITOR IGNYTA, INC. (US) 2017-10-12 US disclosed
US-20170290833-A1 SOLID STATE FORMS OF A QUINAZOLINE DERIVATIVE AND ITS USE AS A BRAF INHIBITOR IGNYTA, INC. (US) 2017-10-12 US 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-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 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
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 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 (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 KDR 982/4885EGFR 504/4885LCK 127/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDR 2031/4885EGFR 779/4885LCK 119/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDR 982/4885EGFR 504/4885LCK 127/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KDR 982/4885EGFR 504/4885LCK 127/4885
US-20170290833-A1 SOLID STATE FORMS OF A QUINAZOLINE DERIVATIVE AND ITS USE AS A BRAF INHIBITOR BRAF, NRAS, RAF1 KDR 284/4885EGFR 130/4885LCK 168/4885

“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.