SCHEMBL1012358

SCHEMBL1012358

COc1cc2ncnc(Cl)c2cc1OCCCl

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.79
KDR P35968 9/20 0.46
MAPK1 P28482 2/20 0.46
FLT1 P17948 2/20 0.46
EGFR P00533 5/20 0.46
FGFR1 P11362 1/20 0.46
FLT4 P35916 1/20 0.46
PDE1B Q01064 1/20 0.45
CSF1R P07333 1/20 0.45
RIPK2 O43353 1/20 0.45
SRC P12931 1/20 0.45
NOD1 Q9Y239 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44

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
SCHEMBL1013021 1.00 ENPP1 (0.79) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL662795 1.00 ENPP1 (0.79) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL30864338 0.94 ENPP1 (0.79) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL31620798 0.94 ENPP1 (0.79) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL1013051 0.94 ENPP1 (0.79) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL1015576 0.94 ENPP1 (0.79) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL6019935 0.93 ENPP1 (0.70) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL4029922 0.93 ENPP1 (0.77) ENPP1KDRMAPK1FLT1EGFR
Hydrochloric Acid SCHEMBL28825385 0.93 ENPP1 (0.77) ENPP1KDRMAPK1FLT1EGFR
SCHEMBL1507564 0.92 ENPP1 (0.66) ENPP1KDRFLT1EGFRALDH1A1

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 32 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-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use ASTRAZENECA AB (SE) 2006-10-05 US disclosed
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine ASTRAZENECA AB (SE) 2006-06-29 US disclosed
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2006-06-08 US disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1620104-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE Astrazeneca AB (SE) 2006-02-01 EP disclosed
EP-1562612-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE Astrazeneca AB (SE) 2005-08-17 EP disclosed
EP-1562955-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2004098604-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 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 (7 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 ENPP1 1136/4885KDR 982/4885MAPK1 66/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885KDR 982/4885MAPK1 66/4885
US-20060223815-A1 Therapeutic agents comprising an anti-angiogenic agent in combination with an src-inhibitor and their therapeutic use SRC, TEK, FLT4 ENPP1 1080/4885KDR 5/4885MAPK1 361/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885KDR 982/4885MAPK1 66/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 ENPP1 1388/4885KDR 825/4885MAPK1 576/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885KDR 982/4885MAPK1 66/4885
US-20060122199-A1 Quinazoline derivatives as src tyrosine kinase inhibitors SRC, ABL1, ERBB2 ENPP1 4061/4885KDR 118/4885MAPK1 72/4885

“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.