SCHEMBL13250046

SCHEMBL13250046

CC(C)(C)OC(=O)N1CCc2c(nc(N)n(C(c3ccccc3)c3ccccc3)c2=O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
P2RX3 P56373 6/20 0.43
F12 P00748 3/20 0.43
ADORA1 P30542 1/20 0.42
NR1H2 P55055 1/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN11 Q06124 1/20 0.38
DTYMK P23919 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ESR2 Q92731 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
SCHEMBL13250121 0.95 PARP1 (0.43) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13328851 0.92 F12 (0.43) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13250070 0.90 PARP1 (0.44) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13250277 0.90 PARP1 (0.45) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13249769 0.89 PARP1 (0.48) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13250470 0.89 PARP1 (0.46) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13249776 0.88 PARP1 (0.47) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13250051 0.87 PARP1 (0.47) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13250124 0.87 P2RX3 (0.46) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13249964 0.87 PARP1 (0.46) PARP1TNKS2PARP2P2RX3F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
WO-2008130581-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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 PARP1 995/4885TNKS2 2045/4885PARP2 1325/4885

“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.