SCHEMBL14245136

SCHEMBL14245136

CCCCc1nc(C)nc(OCC(=O)NCC)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACHE P22303 1/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL14245573 0.92 FFAR1 (0.38) PPARGACHEFFAR1AKR1B1
SCHEMBL14245549 0.90 FFAR1 (0.43) FFAR1AKR1B1
SCHEMBL14246017 0.89 DPP4 (0.40) ACHEFFAR1AKR1B1
SCHEMBL9846009 0.88 SQOR (0.46)
SCHEMBL14246157 0.86 ALDH1A1 (0.40) ACHEFFAR1AKR1B1
SCHEMBL9846003 0.86 PPARG (0.40) PPARGACHEFFAR1AKR1B1
SCHEMBL14246069 0.85 ACHE (0.41) ACHE
SCHEMBL14245333 0.85 PPARG (0.39) PPARGACHEFFAR1AKR1B1
SCHEMBL14245058 0.85 FFAR1 (0.40) PPARGACHEFFAR1AKR1B1
SCHEMBL14245434 0.85 FFAR1 (0.46) ACHEFFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322819-A1 COMPOUND CONTAINING A NOVEL 4-ALKOXYPYRIMIDINE STRUCTURE AND MEDICINE CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-12-20 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-20120322819-A1 COMPOUND CONTAINING A NOVEL 4-ALKOXYPYRIMIDINE STRUCTURE AND MEDICINE CONTAINING SAME AGTR2, AGTR1, GPR119 PPARG 4/4885NPC1 3025/4885RAB9A 4449/4885

“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.