SCHEMBL3026443

SCHEMBL3026443

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.57
ADORA1 P30542 16/20 0.57
ADORA2A P29274 14/20 0.57
ADORA2B P29275 4/20 0.57
HTR2B P41595 2/20 0.54
TMEM97 Q5BJF2 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL10156671 0.93 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3017909 0.92 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3026932 0.92 ADORA3 (0.59) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL10156688 0.91 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3022827 0.89 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL3022855 0.89 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2BHTR2B
SCHEMBL10156680 0.88 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10158773 0.88 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL10156160 0.88 ADORA3 (0.55) ADORA3ADORA1ADORA2AHTR2B
SCHEMBL12196646 0.88 ADORA3 (0.55) ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US claimed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP claimed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 WO claimed
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 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 (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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA1 2/4885ADORA2A 1/4885

“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.