SCHEMBL1011139

SCHEMBL1011139

COC(=O)c1ccc(OC)c(OCCCCl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
SMPD1 P17405 5/20 0.56
KMT2A Q03164 2/20 0.51
PRSS1 P07477 4/20 0.50
TSHR P16473 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
TP53 P04637 1/20 0.50
MGLL Q99685 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL1012841 0.94 MAPT (0.60) MAPTSMPD1KMT2ATSHRPDE4A
SCHEMBL1011130 0.94 MAPT (0.60) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL4375986 0.90 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL56262 0.88 MAPT (0.60) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL1012123 0.88 MAPT (0.60) MAPTKMT2APRSS1TSHRMGLL
SCHEMBL3372285 0.88 MAPT (0.60) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL13461264 0.88 SMPD1 (0.67) MAPTSMPD1KMT2APDE4APDE4B
SCHEMBL25293543 0.87 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL14705177 0.87 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR
SCHEMBL30506582 0.87 MAPT (0.59) MAPTSMPD1KMT2APRSS1TSHR

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-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
CN-102026985-A Quinazoline derivatives as RAF kinase modulators and methods and uses thereof AMBIT BIOSCIENCES CORPORATON 2011-04-20 CN disclosed
CN-101108846-B 4- fragrant amido quinazoline derivatives and method of manufacturing the same and application in pharmacy thereof UNIV SOUTHEAST 2011-02-09 CN disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
CN-101899011-A Dithiocarbamates compound, preparation method and application thereof UNIV BEIJING 2010-12-01 CN disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
CN-101108846-A 4- fragrant amido quinazoline derivatives and method of manufacturing the same and application in pharmacy thereof UNIV SOUTHEAST (CN) 2008-01-23 CN disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP 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 MAPT 3020/4885SMPD1 1427/4885KMT2A 1484/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 1517/4885SMPD1 2170/4885KMT2A 2544/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 3020/4885SMPD1 1427/4885KMT2A 1484/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 3020/4885SMPD1 1427/4885KMT2A 1484/4885
US-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 MAPT 4602/4885SMPD1 4685/4885KMT2A 1507/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 3020/4885SMPD1 1427/4885KMT2A 1484/4885

“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.