SCHEMBL3450914

SCHEMBL3450914

COc1ccc(Nc2nc(-c3ccccc3)cc(N3CCC(O)CC3)n2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 8/20 0.56
GALR2 O43603 6/20 0.56
ABCG2 Q9UNQ0 2/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
HRH1 P35367 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IMPDH2 P12268 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
HRH2 P25021 1/20 0.41

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
SCHEMBL3452098 0.89 MALT1 (0.47) GALR1GALR2HRH1HRH4KDM4E
SCHEMBL3450563 0.87 GALR1 (0.58) GALR1GALR2ABCG2ABCB1ABCC1
SCHEMBL3453011 0.87 GALR1 (0.60) GALR1GALR2ABCG2ABCB1ABCC1
SCHEMBL3451772 0.85 GALR1 (0.56) GALR1GALR2ABCG2ABCB1ABCC1
SCHEMBL3451519 0.83 GALR1 (0.63) GALR1GALR2ABCG2ABCB1ABCC1
SCHEMBL3452164 0.82 HRH4 (0.48) HRH1HRH4KDM4EMEN1ALDH1A1
SCHEMBL13126895 0.80 CDK1 (0.48) HRH1HRH4POLBMAPTKMT2A
SCHEMBL3451124 0.79 HRH4 (0.44) HRH1HRH4KDM4EMEN1ALDH1A1
SCHEMBL13111375 0.79 HRH4 (0.41) GALR1GALR2HRH1HRH4KDM4E
SCHEMBL3450867 0.79 GALR2 (0.51) GALR2HRH1HRH4KDM4EMEN1

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 10 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 claimed
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
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 GALR1 3000/4885GALR2 2962/4885ABCG2 566/4885

“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.