SCHEMBL3453011

SCHEMBL3453011

COc1ccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.60
GALR2 O43603 5/20 0.60
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
IMPDH2 P12268 1/20 0.49
AIMP2 Q13155 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
JAK2 O60674 1/20 0.47
MERTK Q12866 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
MTOR P42345 2/20 0.46
SMG1 Q96Q15 1/20 0.46

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
SCHEMBL3450716 0.88 BCL6 (0.52) GALR1GALR2NPSR1MAPTTSHR
SCHEMBL3450563 0.88 GALR1 (0.58) GALR1GALR2IMPDH2LMNAABCG2
SCHEMBL3450914 0.87 GALR1 (0.56) GALR1GALR2NPSR1MAPTIMPDH2
SCHEMBL3451772 0.87 GALR1 (0.56) GALR1GALR2IMPDH2LMNAABCG2
SCHEMBL3451413 0.82 NPSR1 (0.67) NPSR1MAPTTSHRMAPK1HSD17B10
SCHEMBL13127077 0.79 MAPT (0.64) NPSR1MAPTTSHRMAPK1HSD17B10
SCHEMBL13127125 0.78 HRH1 (0.53) NPSR1MAPTTSHRMAPK1HSD17B10
SCHEMBL3450413 0.78 ABL1 (0.56) GALR2NPSR1MAPTTSHRMAPK1
SCHEMBL5209575 0.78 GALR1 (0.47) GALR1GALR2IMPDH2JAK2ABCG2
SCHEMBL3449980 0.78 MAPT (0.55) NPSR1MAPTTSHRMAPK1HSD17B10

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 2962/4885NPSR1 2192/4885

“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.