SCHEMBL2172807

SCHEMBL2172807

COc1ccc2c(Br)ccc(F)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
EGFR P00533 3/20 0.35
NQO2 P16083 3/20 0.33
ADORA2A P29274 1/20 0.33
KDR P35968 1/20 0.33
KCNH2 Q12809 2/20 0.32
CLK1 P49759 2/20 0.32
DYRK1A Q13627 2/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL17543401 0.79 CYP1A2 (0.37) KMT2ACYP1A2MAPK13MAPK12MAPK11
SCHEMBL3605495 0.78 KMT2A (0.41) KMT2ACYP1A2MEN1NPC1RAB9A
SCHEMBL31556365 0.77 CCR1 (0.41) KMT2AMEN1NPC1RAB9AADORA2A
SCHEMBL12416583 0.77 CCR1 (0.41) KMT2AMEN1NPC1RAB9AADORA2A
SCHEMBL31575293 0.76 CLK1 (0.39) KMT2ACYP1A2MEN1NPC1RAB9A
SCHEMBL1223235 0.75 PTGS2 (0.39) KMT2ACYP1A2EGFRKCNH2
SCHEMBL18544282 0.74 CYP1A2 (0.38) KMT2ACYP1A2MAPK13MAPK12MAPK11
SCHEMBL31629295 0.74 NQO2 (0.49) KMT2ACYP1A2MEN1NPC1RAB9A
SCHEMBL17494719 0.74 KMT2A (0.39) KMT2ACYP1A2MEN1MAPK13MAPK12
SCHEMBL31541706 0.74 POLB (0.36) KMT2ACYP1A2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 KMT2A 4294/4885CYP1A2 1996/4885MEN1 1614/4885

“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.