SCHEMBL2170635

SCHEMBL2170635

Fc1cc2nccc(Br)c2cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.38
FERMT2 Q96AC1 1/20 0.36
CDK8 P49336 2/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RPS6KA3 P51812 1/20 0.35
JAK3 P52333 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ACVR1 Q04771 1/20 0.35
NTRK3 Q16288 1/20 0.35
ALK Q9UM73 1/20 0.33
CCNC P24863 1/20 0.33

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
SCHEMBL632884 0.78 CDK8 (0.49) PRKCIFERMT2CDK8ACVR1CCNC
SCHEMBL16010398 0.78 FERMT2 (0.49) PRKCIFERMT2CDK8ACVR1ALK
SCHEMBL29373276 0.78 CDK8 (0.49) PRKCIFERMT2CDK8ACVR1CCNC
SCHEMBL30976613 0.76 CDK8 (0.47) PRKCIFERMT2CDK8ACVR1CCNC
SCHEMBL2170628 0.75 CDK8 (0.38) FERMT2CDK8JAK2NTRK1RET
SCHEMBL5233653 0.75 SMN1; SMN2 (0.49) FERMT2CDK8JAK2NTRK1RET
SCHEMBL4655567 0.75 AXL (0.42) PRKCIFERMT2CDK8JAK2NTRK1
SCHEMBL7985572 0.73 PI4KA (0.47) PRKCIALKESR1ESR2HTT
SCHEMBL18420877 0.73 KDM4E (0.35) FERMT2CDK8JAK2NTRK1RET
SCHEMBL15010142 0.73 KDM4E (0.35) FERMT2CDK8JAK2NTRK1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO disclosed
WO-2016196393-A2 AUTOPHAGY-INHIBITING COMPOUNDS AND USES THEREOF PRESAGE BIOSCIENCES, INC. (US) 2016-12-08 WO 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-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
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
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

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

For each of this compound's patents that has machine-readable text (1 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-20110172256-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 PRKCI 3038/4885FERMT2 2155/4885CDK8 1694/4885

“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.