SCHEMBL3053501

SCHEMBL3053501

Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.58
CLPP Q16740 14/20 0.56
STARD3 Q14849 1/20 0.55
PARP1 P09874 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
BLM P54132 1/20 0.48
RUNX1 Q01196 1/20 0.48
MCL1 Q07820 1/20 0.48
CBFB Q13951 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5226852 0.86 SLC6A5 (0.57) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL721339 0.85 SLC6A5 (0.58) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL4871477 0.84 GAA (0.57) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL14107496 0.84 SLC6A5 (0.57) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL4864912 0.83 SLC6A5 (0.54) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL14086093 0.80 SLC6A5 (0.53) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL172838 0.79 CLPP (0.50) SLC6A5CLPPSTARD3PARP1TNKS2
SCHEMBL1622868 0.79 HTR2C (0.67) SLC6A5CLPP
SCHEMBL5262540 0.78 CLPP (0.65) SLC6A5CLPP
SCHEMBL1550311 0.77 KDM4E (0.63) SLC6A5CLPPSTARD3PARP1TNKS2

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 16 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
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
EP-2148869-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 US disclosed
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 US disclosed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US disclosed
US-6660740-B1 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-12-09 US disclosed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 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 (4 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-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SLC6A5 241/4885CLPP 4849/4885STARD3 1348/4885
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 SLC6A5 1594/4885CLPP 4632/4885STARD3 2839/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SLC6A5 282/4885CLPP 4850/4885STARD3 1053/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 SLC6A5 282/4885CLPP 4850/4885STARD3 1053/4885

“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.