SCHEMBL3450860

SCHEMBL3450860

Fc1ccc(-c2nc(Cl)cc(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PTGS2 P35354 1/20 0.47
ADORA2A P29274 4/20 0.42
ADORA1 P30542 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA2B P29275 1/20 0.41
DPP4 P27487 1/20 0.40
TXN P10599 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 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
SCHEMBL9013500 0.86 LMNA (0.68) LMNAPTGS2ADORA2AADORA1KMT2A
SCHEMBL2537961 0.82 POLB (0.44) LMNAPTGS2ADORA2AADORA1KMT2A
SCHEMBL3166068 0.81 NPC1 (0.58) LMNAKMT2AMEN1MAPTADORA3
SCHEMBL523886 0.80 SCN9A (0.49) LMNAPTGS2ADORA2AADORA1KMT2A
SCHEMBL6017000 0.80 RAB9A (0.47) ADORA2AADORA1KMT2AMEN1ADORA3
SCHEMBL3995718 0.79 TXN (0.46) PTGS2ADORA2AADORA1KMT2AMEN1
SCHEMBL6016966 0.79 TXN (0.55) ADORA2AKMT2AMEN1ADORA3DPP4
SCHEMBL6017041 0.79 TXN (0.50) ADORA2AKMT2AMEN1ADORA3DPP4
SCHEMBL2543365 0.78 LMNA (0.47) LMNAPTGS2KMT2AMEN1MAPT
SCHEMBL23733877 0.78 BCL2L1 (0.48) ADORA2AADORA1KMT2AMEN1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
EP-0055693-A1 Use of phenyl pyrimidines as protecting agents for culture plants against phytotoxic damage caused by herbicides CIBA-GEIGY AG (CH) 1982-07-07 EP claimed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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 (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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS LMNA 704/4885PTGS2 1220/4885ADORA2A 1490/4885
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 LMNA 2577/4885PTGS2 929/4885ADORA2A 1483/4885

“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.