Sugi Predict

Sugi Predict / Compounds / SCHEMBL47158

SCHEMBL47158

SCHEMBL47158

CCCc1nnc(-c2cnc3nc(Nc4ccc(OC)cc4)n(CCCN4CCCCC4)c3n2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.49
▸ MC4R P32245 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ EGFR P00533 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MAPK9 P45984 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ KDR P35968 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR4 P22455 1/20 0.33

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
SCHEMBL47253 0.88 HRH3 (0.50) HRH3MC4RMAPTNPC1EGFR
SCHEMBL47144 0.87 MC4R (0.42) HRH3MC4RMAPTNPC1EGFR
SCHEMBL47141 0.86 MC4R (0.40) HRH3MC4RMAPTNPC1EGFR
SCHEMBL47156 0.85 HRH3 (0.48) HRH3MC4RMAPTNPC1EGFR
SCHEMBL47155 0.85 HRH3 (0.49) HRH3MC4RMAPTNPC1EGFR
SCHEMBL47154 0.84 MC4R (0.49) HRH3MC4RMAPTNPC1EGFR
SCHEMBL47130 0.79 MC4R (0.46) HRH3MC4RMAPTNPC1POLB
SCHEMBL47159 0.77 MC4R (0.46) HRH3MC4RMAPTNPC1EGFR
SCHEMBL47260 0.76 MC4R (0.48) HRH3MC4RMAPTNPC1BCHE
SCHEMBL47143 0.75 MC4R (0.46) HRH3MC4RMAPTNPC1EGFR

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 HRH3 88/4885MC4R 1/4885MAPT 3453/4885
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R HRH3 72/4885MC4R 1/4885MAPT 3371/4885

“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.