SCHEMBL13328906

SCHEMBL13328906

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C(=O)OCC(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
PPARA Q07869 6/20 0.42
MTHFD2 P13995 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
CCR5 P51681 1/20 0.36
WEE1 P30291 1/20 0.36
MAP3K5 Q99683 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13249789 0.92 PPARG (0.42) PPARGPPARAPTGDR2TSHRGAA
SCHEMBL13328898 0.92 TSHR (0.45) MTHFD2TSHRGAACCR5WEE1
SCHEMBL13328919 0.89 KDR (0.47) PTGDR2
SCHEMBL13328901 0.89 PPARG (0.41) PPARGPPARAMTHFD2TSHRGAA
SCHEMBL13328900 0.88 MTHFD2 (0.39) MTHFD2PTGDR2TSHRGAACCR5
SCHEMBL13328904 0.88 MTHFD2 (0.39) PPARGPPARAMTHFD2PTGDR2TSHR
SCHEMBL13328912 0.88 MTHFD2 (0.41) PPARGMTHFD2TSHRGAACCR5
SCHEMBL13328838 0.87 MTHFD2 (0.42) MTHFD2PTGDR2CCR5PDE10A
SCHEMBL13328897 0.87 CCR5 (0.44) MTHFD2TSHRCCR5PDE10A
SCHEMBL13328941 0.87 MTHFD2 (0.41) MTHFD2TSHRGAACCR5WEE1

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-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 PPARG 26/4885PPARA 35/4885MTHFD2 1017/4885

“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.