SCHEMBL3452007

SCHEMBL3452007

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PIK3CA P42336 6/20 0.54
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
AKT1 P31749 2/20 0.50
LRRK2 Q5S007 1/20 0.50
MTOR P42345 1/20 0.50
PDE4B Q07343 1/20 0.49
PIK3CB P42338 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
JAK2 O60674 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
SCHEMBL3453248 0.90 MEN1 (0.57) MEN1KMT2AHSD17B10MAPTTSHR
SCHEMBL5191955 0.89 RAF1 (0.60) MEN1KMT2AHSD17B10MAPTTSHR
SCHEMBL3450845 0.88 MEN1 (0.55) MEN1KMT2AHSD17B10MAPTTSHR
SCHEMBL3451971 0.87 MAPK8 (0.47) MEN1KMT2APIK3CAHTTPDE4B
SCHEMBL3451413 0.85 NPSR1 (0.67) HSD17B10MAPTTSHRMAPK1NPSR1
SCHEMBL13127077 0.82 MAPT (0.64) HSD17B10MAPTTSHRMAPK1NPSR1
SCHEMBL3450540 0.82 SMG1 (0.66) HSD17B10MAPTTSHRMAPK1NPSR1
SCHEMBL3450954 0.82 PTGS2 (0.62) HSD17B10MAPTTSHRMAPK1NPSR1
SCHEMBL3451650 0.80 MAPT (0.55) HSD17B10MAPTTSHRMAPK1NPSR1
SCHEMBL3450445 0.80 MTOR (0.65) HSD17B10MAPTTSHRMAPK1NPSR1

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 5 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
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-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 4623/4885HSD17B10 3514/4885

“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.