SCHEMBL2187452

SCHEMBL2187452

CC(=O)c1ccc(OCCF)nc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
SLC18A3 Q16572 1/20 0.45
NNMT P40261 2/20 0.44
GAA P10253 1/20 0.42
EPHX2 P34913 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
APP P05067 2/20 0.39
SNCA P37840 1/20 0.39
KCNJ1 P48048 1/20 0.39

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
SCHEMBL1092509 0.85 MAPT (0.56) MAPTL3MBTL1NNMTGAA
SCHEMBL21078749 0.85 MAPT (0.65) MAPTL3MBTL1SLC18A3NNMTEPHX2
SCHEMBL23538185 0.84 MAPK1 (0.54) MAPTL3MBTL1NNMTCXCR1CXCR2
SCHEMBL22773635 0.84 MAPT (0.51) MAPTL3MBTL1NNMTGAAEPHX2
SCHEMBL29859242 0.83 MAPT (0.50) MAPTL3MBTL1NNMTGAAEPHX2
SCHEMBL14480266 0.83 MAPT (0.50) MAPTL3MBTL1NNMTGAAEPHX2
SCHEMBL2713919 0.83 EPHX2 (0.60) MAPTL3MBTL1EPHX2
SCHEMBL1092552 0.81 MAPT (0.74) MAPTL3MBTL1NNMTALDH1A1CXCR1
SCHEMBL16865851 0.81 L3MBTL1 (0.44) MAPTL3MBTL1SLC18A3NNMTEPHX2
SCHEMBL22787145 0.80 MAPT (0.50) MAPTL3MBTL1NNMTGAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870156-B1 PYRIMIDINONE DERIVATIVES AS ANTIMALARIAL AGENTS SANOFI SA (FR) 2020-06-17 EP disclosed
US-9321790-B2 Pyrimidinone derivatives as antimalarial agents SANOFI (FR) 2016-04-26 US disclosed
US-9321790-B2 Pyrimidinone derivatives as antimalarial agents SANOFI (FR) 2016-04-26 US disclosed
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents SANOFI (FR) 2015-07-02 US disclosed
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents SANOFI (FR) 2015-07-02 US disclosed
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
EP-1802632-B1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2011-07-13 EP disclosed
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 EP disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 WO disclosed
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2006-04-27 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 (2 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-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS MAPT 2484/4885L3MBTL1 1757/4885SLC18A3 2547/4885
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents DHFR, PRMT1, PRMT7 MAPT 2806/4885L3MBTL1 1019/4885SLC18A3 4777/4885

“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.