SCHEMBL3450475

SCHEMBL3450475

Nc1ncc(C2CCCCCC2)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.46
FEN1 P39748 6/20 0.41
ALOX5AP P20292 3/20 0.39
DHFR P00374 1/20 0.39
CAMKK2 Q96RR4 1/20 0.37
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL1320584 1.00 TDO2 (0.46) TDO2FEN1ALOX5APDHFRCAMKK2
SCHEMBL1318378 0.98 TDO2 (0.44) TDO2FEN1ALOX5APDHFRCAMKK2
SCHEMBL3565817 0.94 FEN1 (0.43) TDO2FEN1ALOX5APDHFR
SCHEMBL30714999 0.90 DHFR (0.41) TDO2FEN1ALOX5APDHFR
SCHEMBL2444528 0.90 DHFR (0.41) TDO2FEN1ALOX5APDHFR
SCHEMBL1512134 0.81 DHFR (0.46) DHFR
SCHEMBL12541973 0.81 DHFR (0.37) DHFR
SCHEMBL3779654 0.81 HRH4 (0.45) DHFRHRH3
SCHEMBL5781142 0.81 DHFR (0.37) FEN1ALOX5APDHFR
SCHEMBL12541975 0.81 DHFR (0.37) DHFR

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-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 TDO2 3822/4885FEN1 1641/4885ALOX5AP 541/4885

“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.