SCHEMBL13249889

SCHEMBL13249889

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ GPR119 Q8TDV5 12/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ DTYMK P23919 1/20 0.36

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
SCHEMBL13249887 0.92 HTR6 (0.39) KDM4EPARP1TNKS2PARP2P2RX3
SCHEMBL13249893 0.90 CNR2 (0.36) KDM4E
SCHEMBL13249902 0.88 ALDH1A1 (0.41) KDM4E
SCHEMBL13249910 0.88 ENPP2 (0.41) KDM4E
SCHEMBL13249769 0.87 PARP1 (0.48) PARP1TNKS2PARP2P2RX3
SCHEMBL13249886 0.87 HPGD (0.41) KDM4EPKMPARP1TNKS2PARP2
SCHEMBL13250063 0.85 PARP1 (0.40) PARP1TNKS2PARP2GPR119P2RX3
SCHEMBL13250092 0.82 PARP1 (0.44) PARP1TNKS2PARP2P2RX3
SCHEMBL13249998 0.82 PARP1 (0.44) PARP1TNKS2PARP2P2RX3
SCHEMBL13329327 0.82 KDM4E (0.42) KDM4EPKMGPR119

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 KDM4E 2124/4885PKM 791/4885PARP1 995/4885

“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.

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