SCHEMBL3452125

SCHEMBL3452125

FC(F)(F)Oc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 17/20 0.59
CTSC P53634 1/20 0.54
KCNH2 Q12809 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
ALOX5 P09917 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
SCHEMBL13950340 0.87 CHRNA7 (0.58) CHRNA7CTSC
SCHEMBL3459018 0.86 CHRNA7 (0.55) CHRNA7CTSCALOX5
SCHEMBL8909947 0.85 CHRNA7 (0.72) CHRNA7CTSC
SCHEMBL3996168 0.85 CHRNA7 (0.50) CHRNA7CTSCKCNH2SCN5ASCN9A
SCHEMBL13927360 0.84 CHRNA7 (0.49) CHRNA7CTSC
SCHEMBL3452003 0.80 CHRNA7 (0.52) CHRNA7CTSCKCNH2SCN5ASCN9A
SCHEMBL16540893 0.78 APP (0.51) CHRNA7KCNH2SCN9AALOX5
SCHEMBL30568377 0.77 SCN9A (0.61) CHRNA7CTSCKCNH2SCN5ASCN9A
SCHEMBL1923201 0.76 MAPT (0.61) CHRNA7KCNH2SCN5ASCN9A
SCHEMBL3194551 0.76 MAPT (0.61) CHRNA7KCNH2SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS CHRNA7 4877/4885CTSC 461/4885KCNH2 4400/4885

“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.