SCHEMBL13329327

SCHEMBL13329327

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ PRMT5 O14744 2/20 0.40
▸ WDR77 Q9BQA1 2/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PIK3R5 Q8WYR1 1/20 0.39
▸ PIK3R3 Q92569 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ NOTCH1 P46531 2/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ USP7 Q93009 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL13328836 0.85 MAPT (0.43) MAPTMAPK1
SCHEMBL13250063 0.84 PARP1 (0.40) GPR119NPC1ALDH1A1MAPTMAPK1
SCHEMBL13328989 0.83 CLPP (0.46) DRD2ALDH1A1MAPK1
SCHEMBL13329112 0.83 P2RX7 (0.41) GPR119NPC1ALDH1A1MAPTHTT
SCHEMBL13249889 0.82 KDM4E (0.41) KDM4EPKMGPR119
SCHEMBL13329344 0.81 CLPP (0.36) DRD2
SCHEMBL13328818 0.80 PRLHR (0.42) MAPT
SCHEMBL13250033 0.80 PARP1 (0.39) GPR119MAPTMAPK1
SCHEMBL13249886 0.80 HPGD (0.41) KDM4EPKMGPR119NPC1ALDH1A1
SCHEMBL13249769 0.80 PARP1 (0.48) MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 — — US disclosed
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 — — US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 — — US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 — — 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 KDM4E 2301/4885PKM 939/4885DRD2 844/4885

“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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