SCHEMBL15078360

SCHEMBL15078360

COc1ccc(-c2nc3cnc(C(C)=O)nc3n2CCCN2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.51
ADRA1A P35348 4/20 0.47
KCNH2 Q12809 4/20 0.47
HRH3 Q9Y5N1 4/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
ACHE P22303 1/20 0.46
MCHR1 Q99705 1/20 0.45
AVPR1B P47901 5/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL40920 0.93 MC4R (0.51) MC4RADRA1AKCNH2HRH3POLB
SCHEMBL42062 0.92 MC4R (0.51) MC4RADRA1AKCNH2HRH3POLB
SCHEMBL47093 0.85 MC4R (0.69) MC4R
SCHEMBL15078344 0.82 MC4R (0.47) MC4RADRA1AKCNH2HRH3POLB
SCHEMBL42326 0.77 MC4R (0.49) MC4RADRA1AKCNH2HRH3POLB
SCHEMBL15078345 0.77 MC4R (0.47) MC4RADRA1AKCNH2HRH3POLB
SCHEMBL41414 0.76 MC4R (0.46) MC4RADRA1AKCNH2HRH3POLB
SCHEMBL15078513 0.75 MC4R (0.59) MC4R
SCHEMBL47254 0.75 ADRA1A (0.46) MC4RADRA1AKCNH2HRH3AVPR1B
SCHEMBL45263 0.75 SIGMAR1 (0.49) MC4RADRA1AKCNH2HRH3POLB

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 2 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-20130165426-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2013-06-27 US 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 1/4885ADRA1A 165/4885KCNH2 1124/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R MC4R 1/4885ADRA1A 178/4885KCNH2 1143/4885

“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.