SCHEMBL45263

SCHEMBL45263

COc1ccc(-c2nc3c(Cl)ncnc3n2CCCN2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
PDE4B Q07343 1/20 0.48
MC4R P32245 1/20 0.44
HRH3 Q9Y5N1 5/20 0.43
ADRA1A P35348 3/20 0.43
KCNH2 Q12809 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ACHE P22303 1/20 0.41
ESR1 P03372 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL15078344 0.82 MC4R (0.47) PDE4BMC4RHRH3ADRA1AKCNH2
SCHEMBL15078345 0.82 MC4R (0.47) PDE4BMC4RHRH3ADRA1AKCNH2
SCHEMBL41414 0.81 MC4R (0.46) MC4RHRH3ADRA1AKCNH2POLB
SCHEMBL4058506 0.76 ADORA3 (0.59) PDE4BADORA3ADORA2AADORA1MAPT
SCHEMBL40920 0.75 MC4R (0.51) SIGMAR1MC4RHRH3ADRA1AKCNH2
SCHEMBL42326 0.75 MC4R (0.49) PDE4BMC4RHRH3ADRA1AKCNH2
SCHEMBL15078360 0.75 MC4R (0.51) SIGMAR1MC4RHRH3ADRA1AKCNH2
SCHEMBL42062 0.74 MC4R (0.51) MC4RHRH3ADRA1AKCNH2POLB
SCHEMBL5451833 0.69 PDE10A (0.61) MAPTPDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL47096 0.69 MC4R (0.56) PDE4BMC4RHRH3ADRA1AKCNH2

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-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
US-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 WO disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 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-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R SIGMAR1 122/4885PDE4B 642/4885MC4R 1/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R SIGMAR1 146/4885PDE4B 656/4885MC4R 1/4885

“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.