SCHEMBL2170628

SCHEMBL2170628

Oc1ccnc2cc(F)c(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.38
FGFR1 P11362 2/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
JAK3 P52333 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ACVR1 Q04771 1/20 0.38
NTRK3 Q16288 1/20 0.38
KDM4E B2RXH2 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MPI P34949 1/20 0.36
FERMT2 Q96AC1 1/20 0.36

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
SCHEMBL18420877 0.85 KDM4E (0.35) CDK8FGFR1JAK2NTRK1RET
SCHEMBL15010142 0.85 KDM4E (0.35) CDK8FGFR1JAK2NTRK1RET
SCHEMBL10631684 0.85 MAPT (0.40) FGFR1RETKDM4EL3MBTL1FERMT2
SCHEMBL25208777 0.85 FGFR1 (0.36) FGFR1RETACVR1KDM4EL3MBTL1
SCHEMBL16858593 0.81 EGLN2 (0.39)
SCHEMBL24008901 0.81 RET (0.44) FGFR1RETPDGFRAPDGFRBFLT1
SCHEMBL30430404 0.81 RET (0.44) FGFR1RETPDGFRAPDGFRBFLT1
SCHEMBL14128913 0.80 PDGFRB (0.38) FGFR1KDM4EPDGFRAPDGFRBTLR8
SCHEMBL591523 0.78 CDK8 (0.49) CDK8ACVR1KDM4EFERMT2CCNC
SCHEMBL29933815 0.78 FERMT2 (0.49) CDK8ACVR1KDM4EFERMT2TLR8

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2720545-B1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2016-11-30 EP disclosed
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
EP-2346830-B1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
US-20140128367-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2014-05-08 US disclosed
US-20140128367-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2014-05-08 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8436015-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-20120329743-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
US-20120329743-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
WO-2012174176-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-12-20 WO disclosed
EP-2346830-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck Sharp & Dohme Corp. (US) 2011-07-27 EP disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-07-14 US disclosed
US-7863266-B2 Therapeutic pyrazoloquinoline urea derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-04 US disclosed
WO-2010030722-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-03-18 WO disclosed
US-20080306048-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 US disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 US disclosed
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors AMGEN INC. 2007-12-27 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 (5 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-20120329743-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS NR1H2, HRH2, HRH1 CDK8 2357/4885FGFR1 638/4885JAK2 660/4885
US-20080306048-A1 THERAPEUTIC PYRAZOLOQUINOLINE UREA DERIVATIVES GABRB1, GABRA5, GABRB2 CDK8 3171/4885FGFR1 3575/4885JAK2 2054/4885
US-20140128367-A1 CYCLOALKYL-FUSED TETRAHYDROQUINOLINES AS CRTH2 RECEPTOR MODULATORS NR1H2, HRH2, HRH1 CDK8 2232/4885FGFR1 723/4885JAK2 940/4885
US-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 CDK8 1694/4885FGFR1 927/4885JAK2 1108/4885
US-20070299067-A1 Quinoline and isoquinoline derivatives as phosphodiesterase 10 inhibitors PDE12, PDE10A, PDE4A CDK8 1927/4885FGFR1 3032/4885JAK2 1159/4885

“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.