SCHEMBL13329665

SCHEMBL13329665

COC[C@H](c1ccccc1)n1c(N)nc2c(c1=O)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.40
PDE10A Q9Y233 1/20 0.40
P2RX3 P56373 4/20 0.39
NR1H2 P55055 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAPT P10636 3/20 0.37
C5AR1 P21730 2/20 0.37
ADORA1 P30542 1/20 0.37
GLS O94925 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MTOR P42345 1/20 0.36
APLNR P35414 1/20 0.36

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
SCHEMBL14046931 1.00 F12 (0.40) F12PDE10AP2RX3NR1H2PARP1
SCHEMBL13329427 0.89 F12 (0.38) F12PDE10AP2RX3NR1H2PARP1
SCHEMBL13329667 0.88 PRLHR (0.40) F12PDE10AP2RX3NR1H2PARP1
SCHEMBL13328851 0.87 F12 (0.43) F12PDE10AP2RX3NR1H2PARP1
SCHEMBL13250299 0.84 PARP1 (0.42) F12P2RX3NR1H2PARP1TNKS2
SCHEMBL13250124 0.82 P2RX3 (0.46) F12P2RX3NR1H2PARP1TNKS2
SCHEMBL13250311 0.82 PARP1 (0.41) F12P2RX3NR1H2PARP1TNKS2
SCHEMBL13250394 0.82 PARP1 (0.43) F12P2RX3NR1H2PARP1TNKS2
SCHEMBL13329462 0.82 F12 (0.39) F12PDE10AP2RX3NR1H2PARP1
SCHEMBL13250373 0.81 PARP1 (0.42) F12P2RX3NR1H2PARP1TNKS2

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 F12 4881/4885PDE10A 1348/4885P2RX3 155/4885

“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.