SCHEMBL3451673

SCHEMBL3451673

CCOC(=O)CSc1nc(Nc2ccc(OC)c(Cl)c2)cc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALOX5 P09917 2/20 0.54
MAPT P10636 6/20 0.50
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
TP53 P04637 2/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 2/20 0.47
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.43
RXRG P48443 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
SCHEMBL3450830 0.86 TUBB4A (0.49) ALDH1A1MAPK1MAPTCA12CA9
SCHEMBL3451811 0.83 MAPT (0.48) MAPTTP53MEN1KMT2APOLB
SCHEMBL13127197 0.82 TUBB4A (0.44) ALDH1A1MAPK1MAPTCA12CA9
SCHEMBL6565546 0.79 ALOX5 (0.68) ALDH1A1MAPK1L3MBTL1ALOX5MAPT
SCHEMBL6565776 0.77 L3MBTL1 (0.70) ALDH1A1MAPK1L3MBTL1ALOX5MAPT
SCHEMBL6565628 0.77 PPARA (0.72) ALDH1A1MAPK1L3MBTL1ALOX5MAPT
SCHEMBL13126907 0.75 ADORA3 (0.55) ALDH1A1MAPTTP53RXFP1MEN1
SCHEMBL13110709 0.75 MAPT (0.59) MAPK1MAPTTP53MEN1KMT2A
SCHEMBL3451509 0.74 TUBB4A (0.54) ALDH1A1MAPK1L3MBTL1MAPTTP53
SCHEMBL13110689 0.74 AGPAT2 (0.65) ALDH1A1MAPK1MAPTTP53KMT2A

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 6 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
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 ALDH1A1 3580/4885MAPK1 1540/4885L3MBTL1 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.