SCHEMBL11891121

SCHEMBL11891121

CCCCCN(CCCCC)C(=O)c1ccc2nc(-c3ccc(C(C)=O)cc3)n(CCCN)c2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 18/20 0.60
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ MC5R P33032 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL11891120 0.88 MC4R (0.77) MC4RMC5RMC3R
SCHEMBL11891191 0.85 MC4R (0.75) MC4RMC5RMC3R
SCHEMBL13123858 0.84 MC4R (0.79) MC4RMC5RMC3R
SCHEMBL11891169 0.84 MC4R (0.81) MC4RMC5RMC3R
SCHEMBL11891198 0.82 MC4R (0.73) MC4RMC5RMC3R
SCHEMBL14226098 0.80 MC4R (0.66) MC4R
SCHEMBL11891188 0.79 MC4R (0.68) MC4RMC5RMC3R
SCHEMBL11891186 0.78 MC4R (0.78) MC4RMC5RMC3R
SCHEMBL11891187 0.78 MC4R (0.78) MC4RMC5RMC3R
SCHEMBL13123862 0.76 MC4R (0.73) MC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2012-12-13 — — US disclosed
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2012-12-13 — — US disclosed
US-8227485-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2012-07-24 — — US disclosed
US-8227485-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2012-07-24 — — 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 (1 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-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT MC4R, MC5R, MC1R MC4R 1/4885JAK2 126/4885JAK1 202/4885

“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.

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