SCHEMBL3451194

SCHEMBL3451194

OC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
ABL1 P00519 6/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL3451133 0.86 HPGD (0.68) HPGDNPSR1MAPTTSHRMAPK1
SCHEMBL3450867 0.85 GALR2 (0.51) NPSR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL3451651 0.84 MAPT (0.61) HPGDNPSR1MAPTTSHRMAPK1
SCHEMBL28894712 0.78 AHR (0.51) ABL1
SCHEMBL3451806 0.76 GALR2 (0.53) HPGDMAPTMAPK1KDM4EABL1
SCHEMBL4002840 0.76 SCN9A (0.46) MAPTKDM4EMEN1ALDH1A1GLA
SCHEMBL13126880 0.76 HPGD (0.49) HPGDNPSR1MAPTTSHRMAPK1
SCHEMBL3451693 0.76 ADORA1 (0.58) HPGDNPSR1MAPTTSHRMAPK1
SCHEMBL3451107 0.75 ADORA1 (0.54) HPGDNPSR1MAPTTSHRMAPK1
SCHEMBL3452044 0.74 KMT2A (0.51) HPGDNPSR1MAPTTSHRMAPK1

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
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
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

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 HPGD 924/4885NPSR1 2192/4885MAPT 4276/4885

“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.