SCHEMBL13249772

SCHEMBL13249772

CC(C)(C)OC(=O)N1CCc2c(nc(Cc3ccccc3)n(Cc3ccccc3)c2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.49
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 4/20 0.42
ACHE P22303 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
MDM2 Q00987 1/20 0.40
PRKCI P41743 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13249970 0.82 TRPV1 (0.42) TP53LMNAMAPTMDM2ALDH1A1
SCHEMBL27013365 0.79 P2RX3 (0.47) P2RX3PARP1TNKS2PARP2HDAC1
SCHEMBL14047929 0.79 PARP1 (0.44) P2RX3PARP1TNKS2PARP2HDAC1
SCHEMBL13250468 0.78 P2RX3 (0.48) P2RX3PARP1TNKS2PARP2ACHE
SCHEMBL13250059 0.78 PARP1 (0.44) P2RX3PARP1TNKS2PARP2HDAC1
SCHEMBL22410754 0.77 P2RX3 (0.51) P2RX3PARP1TNKS2PARP2HDAC1
SCHEMBL22845477 0.77 P2RX3 (0.46) P2RX3HDAC1HDAC6TP53LMNA
SCHEMBL13250062 0.77 KDM1A (0.43) P2RX3PARP1TNKS2PARP2HDAC1
SCHEMBL21041597 0.77 P2RX3 (0.49) P2RX3PARP1TNKS2PARP2HDAC1
SCHEMBL13249823 0.76 PARP1 (0.48) P2RX3PARP1TNKS2PARP2HDAC1

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 P2RX3 162/4885PARP1 995/4885TNKS2 2045/4885

“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.