SCHEMBL411394

SCHEMBL411394

Nc1nc2c(CCc3cccc(C(F)(F)F)c3)cccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
EPHX2 P34913 1/20 0.45
SCN4A P35499 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.44
MPO P05164 1/20 0.42
LMNA P02545 2/20 0.41
PDPK1 O15530 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE10A Q9Y233 1/20 0.41
IDO1 P14902 2/20 0.40
NR3C2 P08235 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MIF P14174 1/20 0.39

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
SCHEMBL410765 0.89 MPO (0.51) TAAR1EPHX2SCN4ASMN1; SMN2LTA4H
SCHEMBL11751719 0.75 ATM (0.60) TAAR1LTA4HLMNAALDH1A1IDO1
SCHEMBL8781194 0.72 PDPK1 (0.57) SMN1; SMN2LMNAPDPK1ALDH1A1PDE10A
SCHEMBL9722755 0.72 ALDH1A1 (0.57) SMN1; SMN2LMNAPDPK1ALDH1A1PDE10A
SCHEMBL28145908 0.71 ALDH1A1 (0.56) SMN1; SMN2LTA4HMPOLMNAPDPK1
SCHEMBL4386606 0.70 DHFR (0.56) TAAR1IDO1
SCHEMBL11750621 0.70 LMNA (0.57) TAAR1LMNAALDH1A1IDO1PKM
SCHEMBL11754092 0.70 LMNA (0.57) TAAR1LTA4HLMNAALDH1A1IDO1
SCHEMBL14531016 0.70 ALDH1A1 (0.58) SMN1; SMN2LMNAPDPK1ALDH1A1PDE10A
SCHEMBL29236690 0.70 ALDH1A1 (0.54) SMN1; SMN2LMNAPDPK1ALDH1A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 US disclosed
US-20160185725-A1 c-Met Modulators and Method of Use EXELIXIS, INC. 2016-06-30 US disclosed
US-20150376133-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. 2015-12-31 US disclosed
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-20140155378-A9 c-Met Modulators and Method of Use EXELIXIS, INC. (US) 2014-06-05 US disclosed
US-20140155396-A1 C-Met Modulators and Method of Use EXELIXIS, INC. 2014-06-05 US disclosed
US-20130252940-A1 c-Met Modulators and Method of Use EXELIXIS, INC. (US) 2013-09-26 US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 US disclosed
US-8067436-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) 2011-11-29 US disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 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 TAAR1 3372/4885EPHX2 2234/4885SCN4A 1950/4885
US-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET TAAR1 3372/4885EPHX2 2234/4885SCN4A 1950/4885
US-20120022065-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885
US-20140155378-A9 c-Met Modulators and Method of Use FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885
US-20140155396-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885
US-20150376133-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET TAAR1 3372/4885EPHX2 2234/4885SCN4A 1950/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET TAAR1 3372/4885EPHX2 2234/4885SCN4A 1950/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET TAAR1 3372/4885EPHX2 2234/4885SCN4A 1950/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 TAAR1 3817/4885EPHX2 2386/4885SCN4A 2165/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885
US-20160185725-A1 c-Met Modulators and Method of Use FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET TAAR1 3372/4885EPHX2 2234/4885SCN4A 1950/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 TAAR1 3817/4885EPHX2 2386/4885SCN4A 2165/4885
US-20130252940-A1 c-Met Modulators and Method of Use FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 TAAR1 3753/4885EPHX2 2342/4885SCN4A 2191/4885

“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.