SCHEMBL3950709

SCHEMBL3950709

CNC(=O)c1ccc(COC)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.49
PLK1 P53350 4/20 0.46
HPGDS O60760 2/20 0.46
GRM5 P41594 1/20 0.44
MEN1 O00255 1/20 0.43
AHR P35869 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR3 P49019 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GABRA5 P31644 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 1/20 0.41
P4HTM Q9NXG6 1/20 0.41

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
SCHEMBL1439028 0.83 MAPK1 (0.59) MEN1KMT2ATSHRGABRA5MAPT
SCHEMBL14480242 0.83 L3MBTL1 (0.43) KMT2AHPGDSMN1; SMN2HCAR3MAPT
SCHEMBL31003231 0.83 L3MBTL1 (0.43) KMT2AHPGDSMN1; SMN2HCAR3MAPT
SCHEMBL27535791 0.82 P4HTM (0.57) MEN1AHRKMT2AP4HTM
SCHEMBL1680993 0.81 MAPT (0.53) HPGDHCAR3GABRA5MAPTP4HTM
SCHEMBL13043365 0.81 PLK1 (0.55) BAZ2BPLK1GRM5HPGDTSHR
SCHEMBL9566760 0.81 RAB9A (0.60) MEN1AHRKMT2AGABRA5P4HTM
SCHEMBL31480792 0.80 NNMT (0.57) HPGDSSMN1; SMN2MKNK1MKNK2GABRA5
SCHEMBL2818852 0.80 MAPT (0.51) HPGDHCAR3GABRA5MAPTP4HTM
SCHEMBL28012424 0.80 SCN9A (0.56) MEN1KMT2AGABRA5HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969389-B2 Substituted 6-methylnicotinamides as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2015-03-03 US disclosed
US-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-12-01 US disclosed
US-7553845-B2 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2009-06-30 US disclosed
US-7553845-B2 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2009-06-30 US disclosed
US-7553845-B2 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2009-06-30 US disclosed
US-20060199962-A1 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives SANOFI-AVENTIS (FR) 2006-09-07 US disclosed
EP-1664047-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005028476-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI-AVENTIS (FR) 2005-03-31 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 (2 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-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM6 BAZ2B 2271/4885PLK1 3178/4885HPGDS 4533/4885
US-20060199962-A1 Substituted indolizine 1,2,3,6,7,8 derivatives, FGFs inhibitors, a method for the preparation thereof and pharmaceutical compositions containing said derivatives FGF1, FGF2, FGFR1 BAZ2B 2283/4885PLK1 234/4885HPGDS 2047/4885

“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.