SCHEMBL3405679

SCHEMBL3405679

CCC(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@](C)(O)[C@]1(C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.56
ADORA3 P0DMS8 3/20 0.52
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
AHCY P23526 3/20 0.46
EHMT1 Q9H9B1 1/20 0.44
DOT1L Q8TEK3 2/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
SLC28A1 O00337 1/20 0.44
MAP3K7 O43318 1/20 0.44
SLC28A2 O43868 1/20 0.44
GAPDH P04406 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
STAT6 P42226 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3408365 0.87 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL3414697 0.84 ADORA2A (0.52) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8672664 0.80 ADORA2A (0.67) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL6299609 0.79 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL6864727 0.77 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL3409866 0.76 ADA (0.51) ADORA2AADORA3EHMT1SMN1; SMN2ADA
SCHEMBL20053490 0.76 ADORA2A (0.61) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL10439705 0.75 ADORA2A (0.54) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL11703712 0.74 ADORA2A (0.54) ADORA2AADORA3AHCYADORA2BADORA1
SCHEMBL3411985 0.74 ADORA2A (0.53) ADORA2AADORA3AHCYEHMT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878470-B1 Skin depigmentation method OREAL (FR) 2009-03-11 EP claimed
EP-1878470-A1 Skin depigmentation method L'Oréal (FR) 2008-01-16 EP claimed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US claimed
EP-2204154-B1 Association of monosaccharides and adenosine and its cosmetic use ORÉAL L (FR) 2016-10-12 EP disclosed
EP-2204154-A1 Association of monosaccharides and adenosine and its cosmetic use L'OREAL (FR) 2010-07-07 EP disclosed
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF L'OREAL (FR) 2010-07-01 US disclosed
EP-1878470-B1 Skin depigmentation method OREAL (FR) 2009-03-11 EP disclosed
EP-1878470-A1 Skin depigmentation method L'Oréal (FR) 2008-01-16 EP disclosed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 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 (2 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-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN TYR, CUTA, NQO1 ADORA2A 3810/4885ADORA3 4081/4885PI4KA 3626/4885
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885PI4KA 2407/4885

“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.