SCHEMBL5261647

SCHEMBL5261647

CN(c1ccnc(N[C@H](Cc2ccccc2)C(=O)O)n1)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPR3 P17342 1/20 0.47
▸ PPARG P37231 5/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ MAPK14 Q16539 7/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AURKA O14965 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ADRB3 P13945 1/20 0.39

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
SCHEMBL5913860 1.00 NPR3 (0.47) NPR3PPARGPPARAMAPK14CYP3A4
SCHEMBL5914452 0.92 MAPK14 (0.41) NPR3PPARGPPARAMAPK14CYP3A4
SCHEMBL5264545 0.91 GAA (0.41) NPR3PPARGPPARAMAPK14CYP3A4
SCHEMBL5913824 0.91 MAPK14 (0.41) NPR3PPARGPPARAMAPK14CYP3A4
SCHEMBL5913842 0.91 MAPK14 (0.41) NPR3PPARGPPARAMAPK14CYP3A4
SCHEMBL5264550 0.91 GAA (0.41) NPR3PPARGPPARAMAPK14CYP3A4
SCHEMBL5914396 0.85 KDM4E (0.42) MAPK14CYP3A4CYP2D6ALDH1A1USP2
SCHEMBL5914448 0.84 CIT (0.44) CYP3A4CYP2D6ALDH1A1USP2CYP1A2
SCHEMBL5914274 0.83 MAPK14 (0.37) MAPK14CYP3A4CYP2D6ALDH1A1USP2
SCHEMBL5914170 0.83 ALDH1A1 (0.38) MAPK14CYP3A4CYP2D6ALDH1A1USP2

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
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 — — EP claimed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 — — WO claimed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — US claimed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP NPR3 3076/4885PPARG 2906/4885PPARA 3961/4885

“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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