SCHEMBL3451507

SCHEMBL3451507

OC1CCN(c2nc(-c3ccccc3)cc(-c3ccc4c(c3)OCO4)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.60
ADORA2A P29274 5/20 0.60
ADORA3 P0DMS8 5/20 0.60
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.47
DHODH Q02127 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
FYN P06241 1/20 0.46
HPGD P15428 2/20 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
SCHEMBL3451175 0.86 HPGD (0.56) KDM4EMAPTSMN1; SMN2MEN1POLB
SCHEMBL3451107 0.85 ADORA1 (0.54) ADORA1ADORA2AADORA3KDM4EMAPT
SCHEMBL3450640 0.85 PIK3CA (0.51) ADORA1ADORA2AADORA3KDM4EMAPT
SCHEMBL3451693 0.84 ADORA1 (0.58) ADORA1ADORA2AADORA3KDM4EMAPT
SCHEMBL3451637 0.77 HPGD (0.50) KDM4EMAPTSMN1; SMN2MEN1POLB
SCHEMBL3453289 0.76 PTGS2 (0.48) ADORA1ADORA2AADORA3MAPTSMN1; SMN2
SCHEMBL3451696 0.76 IRAK1 (0.53) ADORA1ADORA2AADORA3KDM4EMAPT
SCHEMBL3728043 0.73 ADORA1 (0.44) ADORA1ADORA2AADORA3KDM4EMAPT
SCHEMBL5181372 0.72 ALOX5 (0.47) KDM4EMAPTSMN1; SMN2MEN1POLB
SCHEMBL3452078 0.71 HPGD (0.47) KDM4EMAPTSMN1; SMN2MEN1POLB

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 9 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
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 ADORA1 2067/4885ADORA2A 1490/4885ADORA3 2099/4885

“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.