SCHEMBL3452085

SCHEMBL3452085

Clc1cc(-c2ccccc2)nc(N2CCOCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
ATM Q13315 1/20 0.65
LMNA P02545 3/20 0.62
HSD17B10 Q99714 2/20 0.62
HTT P42858 2/20 0.62
POLB P06746 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
ALDH1A1 P00352 3/20 0.59
MAPT P10636 4/20 0.57
TSHR P16473 3/20 0.57
MAPK1 P28482 2/20 0.57
PIK3CA P42336 5/20 0.53
MTOR P42345 1/20 0.53
KDM4E B2RXH2 2/20 0.50
AR P10275 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL13561153 0.87 TDP1 (0.64) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL3450472 0.86 KDM4E (0.54) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL13111284 0.85 HSD17B10 (0.63) TDP1L3MBTL1ATMLMNAHSD17B10
SCHEMBL11742121 0.84 LMNA (0.67) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL3991683 0.82 TDP1 (0.48) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL3991686 0.82 TDP1 (0.51) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL3998571 0.82 ALDH3A1 (0.53) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL3451611 0.82 L3MBTL1 (0.51) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL3993337 0.82 PIK3CA (0.51) NPSR1TDP1L3MBTL1ATMLMNA
SCHEMBL4116703 0.82 MTOR (0.62) LMNAHSD17B10HTTPOLBGPR55

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 NPSR1 2192/4885TDP1 936/4885L3MBTL1 4051/4885

“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.