SCHEMBL47144

SCHEMBL47144

CCCc1nc(-c2cnc3nc(Nc4ccc(OC)cc4)n(CCCN4CCCCC4)c3n2)no1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.42
HRH3 Q9Y5N1 3/20 0.41
NPC1 O15118 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CNR2 P34972 2/20 0.37
BCHE P06276 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
EGFR P00533 1/20 0.34
HRH2 P25021 1/20 0.34

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
SCHEMBL47260 0.87 MC4R (0.48) MC4RHRH3NPC1MAPTALDH1A1
SCHEMBL47159 0.87 MC4R (0.46) MC4RHRH3NPC1MAPTALDH1A1
SCHEMBL47141 0.87 MC4R (0.40) MC4RHRH3NPC1MAPTALDH1A1
SCHEMBL47158 0.87 HRH3 (0.49) MC4RHRH3NPC1MAPTCNR2
SCHEMBL47143 0.85 MC4R (0.46) MC4RHRH3NPC1MAPTALDH1A1
SCHEMBL47157 0.85 MC4R (0.51) MC4RHRH3NPC1CNR2BCHE
SCHEMBL47130 0.80 MC4R (0.46) MC4RHRH3NPC1MAPTALDH1A1
SCHEMBL47148 0.76 MC4R (0.44) MC4RHRH3NPC1CNR2BCHE
SCHEMBL47155 0.76 HRH3 (0.49) MC4RHRH3NPC1MAPTCNR2
SCHEMBL47253 0.76 HRH3 (0.50) MC4RHRH3NPC1MAPTCNR2

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 5 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-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

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 MC4R 1/4885HRH3 88/4885NPC1 3129/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MC4R 1/4885HRH3 72/4885NPC1 3266/4885

“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.