SCHEMBL13250063

SCHEMBL13250063

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
GRM5 P41594 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
DTYMK P23919 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
P2RX3 P56373 1/20 0.39
PDK4 Q16654 1/20 0.39
GLS O94925 1/20 0.39
GRM1 Q13255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 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
SCHEMBL13328836 0.93 MAPT (0.43) PARP1TNKS2PARP2MAPTP2RX3
SCHEMBL13249769 0.93 PARP1 (0.48) PARP1TNKS2PARP2MAPTP2RX3
SCHEMBL13328818 0.88 PRLHR (0.42) MAPT
SCHEMBL13249998 0.88 PARP1 (0.44) PARP1TNKS2PARP2MAPTP2RX3
SCHEMBL13250092 0.88 PARP1 (0.44) PARP1TNKS2PARP2GRM5MAPT
SCHEMBL13250035 0.88 TSHR (0.48) TSHRMAPTNPC1ALDH1A1RAB9A
SCHEMBL13249886 0.87 HPGD (0.41) PARP1TNKS2PARP2MAPTGPR119
SCHEMBL13249990 0.86 PARP1 (0.43) PARP1TNKS2PARP2MAPTGPR119
SCHEMBL13250459 0.86 PARP1 (0.42) PARP1TNKS2PARP2GPR119P2RX3
SCHEMBL13250033 0.85 PARP1 (0.39) PARP1TNKS2PARP2TSHRMAPT

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.