SCHEMBL3451971

SCHEMBL3451971

NC(=O)c1cccc(Nc2nc(-c3ccccc3)cc(N3CCC(O)CC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.47
PIK3CG P48736 1/20 0.47
GSK3B P49841 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
PRKD1 Q15139 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
PDE4B Q07343 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SCN9A Q15858 4/20 0.44
IDH2 P48735 1/20 0.43
RHOA P61586 1/20 0.43
MAPK10 P53779 1/20 0.42
SYK P43405 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL3451728 0.90 MEN1 (0.48) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL3451248 0.90 MAPK8 (0.54) MAPK8PIK3CGGSK3BCAMKK2PRKD1
SCHEMBL3450663 0.89 SCN9A (0.55) SCN9A
SCHEMBL3452007 0.87 MEN1 (0.57) MAPK8PIK3CGGSK3BCAMKK2PDE4B
SCHEMBL3452164 0.86 HRH4 (0.48) MEN1KMT2AHTTIDH2SYK
SCHEMBL3457857 0.85 HRH1 (0.55) MEN1KMT2APIK3CA
SCHEMBL5206621 0.84 STAT6 (0.43) MAPK8MEN1KMT2AMAPK10SYK
SCHEMBL13126895 0.84 CDK1 (0.48) KMT2AHTTIDH2SYKCDK2
SCHEMBL3451149 0.83 MTOR (0.54) PIK3CGPIK3CACDK2
SCHEMBL3450957 0.82 PTGS2 (0.47) MAPK8MEN1KMT2ANPC1HTT

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 8 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
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 MAPK8 1525/4885PIK3CG 343/4885GSK3B 4330/4885

“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.