SCHEMBL13329636

SCHEMBL13329636

CC1Cc2nc(N)n(C(c3ccccc3)c3ccccc3)c(=O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAP4K4 O95819 1/20 0.34
HDAC1 Q13547 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
PARP1 P09874 1/20 0.33
PTPN11 Q06124 1/20 0.33
TACR1 P25103 1/20 0.32
GLS O94925 1/20 0.32
DTYMK P23919 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
ACHE P22303 1/20 0.32
UCHL1 P09936 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
HTRA1 Q92743 1/20 0.32

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
SCHEMBL13250112 0.92 MEN1 (0.35) MEN1KMT2AMAP4K4HDAC1SMARCA2
SCHEMBL13329643 0.89 MEN1 (0.35) MEN1KMT2AMAP4K4PARP1TACR1
SCHEMBL13329635 0.87 MEN1 (0.34) MEN1KMT2APARP1ACHEUCHL1
SCHEMBL13328851 0.82 F12 (0.43) PARP1PTPN11DTYMKCKS1BSKP1
SCHEMBL13250266 0.80 UCHL1 (0.34) MEN1KMT2AMAP4K4HDAC1PARP1
SCHEMBL13250046 0.80 PARP1 (0.47) PARP1PTPN11DTYMKCKS1BSKP1
SCHEMBL13250121 0.75 PARP1 (0.43) MEN1KMT2APARP1
SCHEMBL13250113 0.74 SLC6A9 (0.35)
SCHEMBL13250033 0.73 PARP1 (0.39) PARP1GLSDTYMKCKS1BSKP1
SCHEMBL13328858 0.72 CYP2D6 (0.42)

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 5 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
WO-2008130584-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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 MEN1 3248/4885KMT2A 2184/4885MAP4K4 3363/4885

“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.