SCHEMBL3450845

SCHEMBL3450845

CNC(=O)c1cccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PIK3CA P42336 1/20 0.55
SCN9A Q15858 11/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAF1 P04049 3/20 0.52
BRAF P15056 3/20 0.52
PIK3CB P42338 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
AIMP2 Q13155 1/20 0.49

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
SCHEMBL5191955 0.91 RAF1 (0.60) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL3451650 0.90 MAPT (0.55) PIK3CAMAPTTSHRMAPK1NPSR1
SCHEMBL3453248 0.90 MEN1 (0.57) MEN1KMT2APIK3CAMAPTTSHR
SCHEMBL3452007 0.88 MEN1 (0.57) MEN1KMT2APIK3CAMAPTTSHR
SCHEMBL3450663 0.88 SCN9A (0.55) SCN9A
SCHEMBL3451413 0.83 NPSR1 (0.67) PIK3CAMAPTTSHRMAPK1NPSR1
SCHEMBL13127077 0.83 MAPT (0.64) PIK3CAMAPTTSHRMAPK1NPSR1
SCHEMBL3450954 0.82 PTGS2 (0.62) PIK3CAMAPTTSHRMAPK1NPSR1
SCHEMBL3450540 0.78 SMG1 (0.66) PIK3CAMAPTTSHRMAPK1NPSR1
SCHEMBL3450445 0.78 MTOR (0.65) PIK3CAMAPTTSHRMAPK1NPSR1

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-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-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 MEN1 4470/4885KMT2A 4623/4885PIK3CA 231/4885

“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.