SCHEMBL13328836

SCHEMBL13328836

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
F12 P00748 2/20 0.42
PDE10A Q9Y233 1/20 0.41
MTHFD2 P13995 1/20 0.41
C5AR1 P21730 4/20 0.40
NR1H2 P55055 1/20 0.40
P2RX3 P56373 1/20 0.40
ESR2 Q92731 1/20 0.39
PDK4 Q16654 1/20 0.38
GRAMD1A Q96CP6 1/20 0.38
MAPK1 P28482 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL13328818 0.94 PRLHR (0.42) MAPT
SCHEMBL13250063 0.93 PARP1 (0.40) MAPTPARP1TNKS2PARP2P2RX3
SCHEMBL13249769 0.92 PARP1 (0.48) MAPTPARP1TNKS2PARP2F12
SCHEMBL13250033 0.91 PARP1 (0.39) MAPTPARP1TNKS2PARP2C5AR1
SCHEMBL13328963 0.91 MTHFD2 (0.39) MAPTPARP1TNKS2PARP2F12
SCHEMBL13328873 0.90 MAPT (0.40) MAPTPARP1TNKS2PARP2F12
SCHEMBL13329375 0.90 PARP1 (0.42) MAPTPARP1TNKS2PARP2F12
SCHEMBL13329616 0.89 MAPT (0.43) MAPTPARP1TNKS2PARP2F12
SCHEMBL13328851 0.89 F12 (0.43) MAPTPARP1TNKS2PARP2F12
SCHEMBL13328897 0.89 CCR5 (0.44) F12PDE10AMTHFD2

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 5 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
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO 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 MAPT 4832/4885PARP1 971/4885TNKS2 1527/4885

“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.