SCHEMBL3453164

SCHEMBL3453164

CNc1cc(-c2ccccc2)nc(O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
ADORA1 P30542 9/20 0.47
ADORA3 P0DMS8 8/20 0.47
ADORA2A P29274 4/20 0.47
XDH P47989 1/20 0.45
MEN1 O00255 2/20 0.44
NTSR1 P30989 2/20 0.44
KMT2A Q03164 2/20 0.44
ADORA2B P29275 2/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
SYK P43405 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL24227649 0.81 ADORA1 (0.63) BPTFTDP1ADORA1ADORA3ADORA2A
SCHEMBL3451581 0.81 ADORA1 (0.48) TDP1ADORA1ADORA3ADORA2AMEN1
SCHEMBL6752343 0.80 MEN1 (0.63) TDP1ADORA1ADORA3ADORA2AMEN1
SCHEMBL3473227 0.79 MEN1 (0.66) BPTFTDP1ADORA1ADORA3ADORA2A
SCHEMBL17407824 0.79 HRH4 (0.68) BPTFTDP1ADORA1ADORA2AKMT2A
SCHEMBL3451178 0.77 HRH4 (0.55) XDHMEN1KMT2ALMNAMAPT
SCHEMBL11983514 0.76 TDP1 (0.56) BPTFTDP1ADORA1ADORA3ADORA2A
SCHEMBL13111263 0.76 MEN1 (0.49) TDP1ADORA1ADORA2AMEN1NTSR1
SCHEMBL3451123 0.75 MEN1 (0.52) TDP1ADORA1ADORA3ADORA2AMEN1
SCHEMBL3450685 0.73 VCP (0.56) TDP1ADORA1ADORA3ADORA2AMEN1

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
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
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 BPTF 1398/4885TDP1 936/4885ADORA1 2067/4885

“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.