SCHEMBL1402075

SCHEMBL1402075

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(N)nc(N4CC[C@@H](NC(=O)Nc5cccnc5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.49
ADORA3 P0DMS8 8/20 0.49
EPHX2 P34913 1/20 0.44
CHKA P35790 3/20 0.40
POLB P06746 1/20 0.36
PTPN11 Q06124 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL1402079 1.00 ADORA2A (0.49) ADORA2AADORA3EPHX2CHKAPOLB
SCHEMBL3001525 0.89 ADORA2A (0.58) ADORA2AADORA3
SCHEMBL3001527 0.89 ADORA2A (0.58) ADORA2AADORA3
SCHEMBL10158825 0.89 ADORA2A (0.58) ADORA2AADORA3
SCHEMBL4129244 0.86 ADORA2A (0.44) ADORA2AADORA3EPHX2
SCHEMBL4129248 0.86 ADORA2A (0.44) ADORA2AADORA3EPHX2
SCHEMBL4111421 0.85 ADORA2A (0.51) ADORA2AADORA3EPHX2
SCHEMBL4111416 0.85 ADORA2A (0.51) ADORA2AADORA3EPHX2
SCHEMBL10158999 0.85 ADORA2A (0.54) ADORA2AADORA3
SCHEMBL2935334 0.85 ADORA2A (0.54) ADORA2AADORA3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
EP-2292619-A1 Purine derivatives for use as adenonsin A-2A receptor agonists Novartis AG (CH) 2011-03-09 EP disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 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-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885EPHX2 1132/4885

“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.