SCHEMBL1919795

SCHEMBL1919795

NC(=O)NC1CCN(c2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 4/20 0.55
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
DRD2 P14416 3/20 0.51
LMNA P02545 1/20 0.51
GPR119 Q8TDV5 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL2001966 0.87 ALDH1A1 (0.60) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL2301058 0.86 CKS1B (0.60) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL8059749 0.84 ALDH1A1 (0.63) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL3156627 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL13449930 0.83 LMNA (0.57) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL2891558 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL19652126 0.82 CKS1B (0.63) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL19652276 0.82 LMNA (0.59) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4233141 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL13890887 0.81 LMNA (0.55) ALDH1A1KDM4ECA12CA1CA2

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 5 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
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
WO-2007121921-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
CN-1599745-A Crystalline forms of ribofuranosyluronamide derivatives: human adenosine A2αReceptor agonists PFIZER LTD (US) 2005-03-23 CN 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 ALDH1A1 918/4885KDM4E 4719/4885CA12 4138/4885

“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.