SCHEMBL1780830

SCHEMBL1780830

CCOCCn1nc(Br)c(=O)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL12650411 0.76 ADORA2B (0.38) ADORA2AADORA2BALDH1A1GAALMNA
SCHEMBL3284102 0.75 PTGS1 (0.41) ADORA2BHTTLMNASMN1; SMN2MAPT
SCHEMBL1783779 0.73 MAOA (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL1782387 0.72 TSHR (0.39) ADORA2AADORA2BPKMGAAPDE4A
SCHEMBL3288381 0.70 SCD (0.31)
SCHEMBL1783031 0.68 ADORA2A (0.39) ADORA2AADORA2BALDH1A1GAALMNA
SCHEMBL12603817 0.65 ADORA2A (0.40) ADORA2AADORA2BPKMALDH1A1HTT
SCHEMBL29048899 0.64 ADORA2A (0.49) ADORA2AADORA2BPKMALDH1A1GAA
SCHEMBL3290916 0.63 PDE4A (0.41) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL22511363 0.62 ADORA2A (0.47) ADORA2AADORA2BPKMALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 EP disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS ADORA2A 453/4885ADORA2B 675/4885PKM 2229/4885

“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.