SCHEMBL13329635

SCHEMBL13329635

CSc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C(=O)OC(C)(C)C)C(C)C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR5 P51681 1/20 0.31
UCHL1 P09936 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
PARP1 P09874 1/20 0.30
SETD7 Q8WTS6 1/20 0.30

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
SCHEMBL13329636 0.87 MEN1 (0.35) MEN1KMT2AACHEUCHL1PARP1
SCHEMBL13329643 0.87 MEN1 (0.35) MEN1KMT2AACHEALOX15TSHR
SCHEMBL13329615 0.82 PARP1 (0.40) PARP1
SCHEMBL13250044 0.80 PARP1 (0.46) UCHL1PARP1
SCHEMBL13250112 0.79 MEN1 (0.35) MEN1KMT2AACHEALOX15TSHR
SCHEMBL13250117 0.76 PARP1 (0.42) MEN1KMT2APARP1
SCHEMBL13250069 0.72 PARP1 (0.43) PARP1
SCHEMBL13250033 0.71 PARP1 (0.39) ALOX15TSHRGPR119PARP1
SCHEMBL13250283 0.70 PARP1 (0.43) UCHL1PARP1
SCHEMBL13249884 0.70 PARP1 (0.42) UCHL1GPR119PARP1

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 MEN1 3248/4885KMT2A 2184/4885NPSR1 147/4885

“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.