SCHEMBL13249887

SCHEMBL13249887

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)CCC1CCCN(C(=O)OC(C)(C)C)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.39
▸ BCHE P06276 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ CTSD P07339 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ KAT7 O95251 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL13249889 0.92 KDM4E (0.41) PARP1TNKS2PARP2KDM4EP2RX3
SCHEMBL13249902 0.88 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1KMT2A
SCHEMBL13249910 0.88 ENPP2 (0.41) KDM4EALDH1A1MAPK1KMT2A
SCHEMBL13249893 0.87 CNR2 (0.36) KDM4EALDH1A1MAPK1
SCHEMBL13250414 0.85 PRMT5 (0.42) HTR6BCHEPRMT5WDR77PARP1
SCHEMBL13249769 0.84 PARP1 (0.48) PARP1TNKS2PARP2MAPK1P2RX3
SCHEMBL13249886 0.81 HPGD (0.41) PARP1TNKS2PARP2KDM4EALDH1A1
SCHEMBL13250063 0.80 PARP1 (0.40) PARP1TNKS2PARP2ALDH1A1MAPK1
SCHEMBL13250092 0.79 PARP1 (0.44) PARP1TNKS2PARP2MAPK1KMT2A
SCHEMBL13249998 0.79 PARP1 (0.44) PARP1TNKS2PARP2KMT2AP2RX3

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 HTR6 371/4885BCHE 3240/4885CYP2C9 1278/4885

“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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