SCHEMBL1401964

SCHEMBL1401964

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccccn2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.58
PDE10A Q9Y233 3/20 0.57
CKS1B P61024 1/20 0.57
SKP1 P63208 1/20 0.57
SKP2 Q13309 1/20 0.57
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA4 P22748 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
HMOX1 P09601 1/20 0.53
BTK Q06187 3/20 0.52
MAP4K4 O95819 2/20 0.52
PIM1 P11309 1/20 0.52
PIM3 Q86V86 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
SYK P43405 1/20 0.51
JAK3 P52333 1/20 0.50
CTSK P43235 2/20 0.48

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
SCHEMBL1401967 1.00 GPR119 (0.58) GPR119PDE10ACKS1BSKP1SKP2
SCHEMBL649039 0.93 CKS1B (0.65) GPR119PDE10ACKS1BSKP1SKP2
SCHEMBL30599874 0.90 PDE10A (0.57) GPR119PDE10ACKS1BSKP1SKP2
SCHEMBL21227871 0.90 PDE10A (0.57) GPR119PDE10ACKS1BSKP1SKP2
SCHEMBL239933 0.87 GPR119 (0.63) GPR119PDE10ACKS1BSKP1SKP2
SCHEMBL18239342 0.85 GPR119 (0.55) GPR119PDE10ACKS1BSKP1SKP2
SCHEMBL18228321 0.85 GPR119 (0.59) GPR119PDE10ACKS1BSKP1SKP2
SCHEMBL17295995 0.85 PDE10A (0.52) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL17295997 0.85 PDE10A (0.52) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL7239787 0.84 SYK (0.56) PDE10ACKS1BSKP1SKP2BTK

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 7 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-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
EP-1805181-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS Novartis AG (CH) 2007-07-11 EP disclosed
WO-2006045552-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-05-04 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 (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-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 GPR119 259/4885PDE10A 699/4885CKS1B 2055/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 GPR119 1142/4885PDE10A 1358/4885CKS1B 2652/4885

“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.