SCHEMBL13250047

SCHEMBL13250047

CNc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
P2RX3 P56373 6/20 0.42
MTOR P42345 1/20 0.39
F12 P00748 1/20 0.38
PRKCI P41743 1/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
DTYMK P23919 1/20 0.37
ESR2 Q92731 1/20 0.37
ADORA1 P30542 1/20 0.37
GRAMD1A Q96CP6 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
SCHEMBL13250049 0.90 PARP1 (0.44) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13249769 0.87 PARP1 (0.48) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13250046 0.87 PARP1 (0.47) PARP1TNKS2PARP2P2RX3F12
SCHEMBL13249776 0.87 PARP1 (0.47) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13250051 0.86 PARP1 (0.47) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13250470 0.85 PARP1 (0.46) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13249964 0.85 PARP1 (0.46) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13250044 0.85 PARP1 (0.46) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13250407 0.84 PARP1 (0.45) PARP1TNKS2PARP2P2RX3MTOR
SCHEMBL13249998 0.83 PARP1 (0.44) 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 2 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

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.