SCHEMBL13328873

SCHEMBL13328873

Cc1nc2c(c(=O)n1C(c1ccc(F)cc1)c1ccc(F)cc1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.39
F12 P00748 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PTGER4 P35408 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
C5AR1 P21730 1/20 0.38
ESR2 Q92731 1/20 0.38
PRLHR P49683 3/20 0.37
GRAMD1A Q96CP6 1/20 0.37
HPGDS O60760 1/20 0.37
MTOR P42345 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MKNK1 Q9BUB5 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
SCHEMBL13250004 0.92 PARP1 (0.44) MAPTMAPK1NR1H2F12PARP1
SCHEMBL13328836 0.90 MAPT (0.43) MAPTMAPK1NR1H2F12PARP1
SCHEMBL13250092 0.89 PARP1 (0.44) MAPTMAPK1NR1H2F12PARP1
SCHEMBL13328818 0.87 PRLHR (0.42) MAPTPRLHR
SCHEMBL13250194 0.83 PARP1 (0.42) MAPK1NR1H2F12PARP1TNKS2
SCHEMBL13250063 0.83 PARP1 (0.40) MAPTMAPK1PARP1TNKS2PARP2
SCHEMBL13328920 0.83 MGLL (0.41) PRLHRPDE10A
SCHEMBL13250082 0.83 PARP1 (0.41) MAPTMAPK1NR1H2F12PARP1
SCHEMBL13250064 0.83 PARP1 (0.44) MAPTMAPK1NR1H2F12PARP1
SCHEMBL13250072 0.83 PARP1 (0.44) MAPK1NR1H2F12PARP1TNKS2

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 MAPT 4832/4885MAPK1 3376/4885NR1H2 360/4885

“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.