SCHEMBL1012227

SCHEMBL1012227

COc1cc2c(O)ncnc2cc1OCCCCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.57
FGFR1 P11362 2/20 0.46
FLT1 P17948 2/20 0.46
KDR P35968 9/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
FLT4 P35916 1/20 0.46
RET P07949 5/20 0.45
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45

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
SCHEMBL1012438 1.00 ENPP1 (0.57) ENPP1FGFR1FLT1KDRFGFR2
SCHEMBL1010409 0.94 ENPP1 (0.57) ENPP1FGFR1FLT1KDRFGFR2
SCHEMBL1011566 0.94 ENPP1 (0.57) ENPP1FGFR1FLT1KDRFGFR2
Hydrochloric Acid SCHEMBL28084915 0.93 ENPP1 (0.56) ENPP1FGFR1FLT1KDRFGFR2
SCHEMBL13963533 0.87 FGFR1 (0.59) ENPP1FGFR1FLT1KDRFGFR2
SCHEMBL2476964 0.86 RET (0.55) ENPP1FGFR1FLT1KDRRET
SCHEMBL1012142 0.85 ENPP1 (0.50) ENPP1FGFR1FLT1KDRFGFR2
SCHEMBL1015576 0.84 ENPP1 (0.79) ENPP1FGFR1FLT1KDRFLT4
SCHEMBL31620798 0.84 ENPP1 (0.79) ENPP1FGFR1FLT1KDRFLT4
SCHEMBL30864338 0.84 ENPP1 (0.79) ENPP1FGFR1FLT1KDRFLT4

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
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-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 (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 ENPP1 1136/4885FGFR1 718/4885FLT1 1253/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 2993/4885FGFR1 540/4885FLT1 1901/4885
US-20160199375-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885FGFR1 718/4885FLT1 1253/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885FGFR1 718/4885FLT1 1253/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885FGFR1 718/4885FLT1 1253/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ENPP1 1136/4885FGFR1 718/4885FLT1 1253/4885

“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.