SCHEMBL2744895

SCHEMBL2744895

NC(=O)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.59
PARP1 P09874 1/20 0.55
MRGPRX4 Q96LA9 5/20 0.55
PTGER1 P34995 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
KCNH2 Q12809 1/20 0.53
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
S1PR5 Q9H228 1/20 0.52
MAOB P27338 2/20 0.51
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL229472 0.88 MRGPRX4 (0.69) MRGPRX4PTGER1LMNAHTTS1PR5
SCHEMBL34465358 0.86 PARP10 (0.64) PARP10PARP1MRGPRX4SMPD1HDAC1
SCHEMBL4278858 0.86 PARP10 (0.64) PARP10PARP1MRGPRX4SMPD1HDAC1
SCHEMBL31031135 0.85 MRGPRX4 (0.56) MRGPRX4PTGER1S1PR5SMPD1HDAC1
SCHEMBL4747320 0.85 MAOB (0.59) MRGPRX4PTGER1S1PR5MAOBSMPD1
SCHEMBL8512033 0.84 SLC6A2 (0.57) MRGPRX4PTGER1LMNAS1PR5SMPD1
SCHEMBL9341900 0.84 NPC1 (0.54) MRGPRX4PTGER1S1PR5SMPD1HDAC1
SCHEMBL30765139 0.84 PARP10 (0.68) PARP10PTGER1KCNH2LMNAHTT
Hydrochloric Acid SCHEMBL7088661 0.84 F2 (0.59)
SCHEMBL5457607 0.83 MRGPRX4 (0.54) MRGPRX4PTGER1S1PR5SMPD1HDAC1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP disclosed
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 US disclosed
US-20200331860-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2020-10-22 US disclosed
EP-3329918-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2018-06-06 EP disclosed
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 US disclosed
EP-2409704-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2017-09-20 EP disclosed
US-20160185725-A1 c-Met Modulators and Method of Use EXELIXIS, INC. 2016-06-30 US disclosed
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-20140155396-A1 C-Met Modulators and Method of Use EXELIXIS, INC. 2014-06-05 US disclosed
EP-2210607-A1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-piperidin-1-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer Exelixis Inc. (US) 2010-07-28 EP disclosed
US-7579473-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2009-08-25 US disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-10-18 US disclosed
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-09-27 US disclosed
US-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 US disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 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 (11 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-20200331860-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET PARP10 3244/4885PARP1 2253/4885MRGPRX4 996/4885
US-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET PARP10 3244/4885PARP1 2253/4885MRGPRX4 996/4885
US-20140155396-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 PARP10 3574/4885PARP1 2733/4885MRGPRX4 1336/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET PARP10 3244/4885PARP1 2253/4885MRGPRX4 996/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET PARP10 3244/4885PARP1 2253/4885MRGPRX4 996/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 PARP10 3585/4885PARP1 2737/4885MRGPRX4 1339/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 PARP10 3574/4885PARP1 2733/4885MRGPRX4 1336/4885
US-20160185725-A1 c-Met Modulators and Method of Use FLT4, MET, FLT1 PARP10 3574/4885PARP1 2733/4885MRGPRX4 1336/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 PARP10 3574/4885PARP1 2733/4885MRGPRX4 1336/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET PARP10 3244/4885PARP1 2253/4885MRGPRX4 996/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 PARP10 3585/4885PARP1 2737/4885MRGPRX4 1339/4885

“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.