SCHEMBL4225847

SCHEMBL4225847

CCc1cc([C@H]2O[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(N5CC[C@@H](N6CCCC6)C5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.49
ADORA2A P29274 6/20 0.44
ADORA2B P29275 5/20 0.44
ADORA3 P0DMS8 2/20 0.44
NT5E P21589 1/20 0.40

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
SCHEMBL4217722 0.90 ADORA3 (0.40) ADORA1ADORA2AADORA2BADORA3NT5E
SCHEMBL4220348 0.87 ADORA2A (0.47) ADORA1ADORA2AADORA2BADORA3
Trifluoroacetic Acid SCHEMBL3904403 0.86 ADORA1 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL3905304 0.85 ADORA2A (0.63) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2809155 0.83 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3
SCHEMBL4230273 0.83 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3
SCHEMBL3913337 0.83 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2832621 0.83 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2811066 0.83 ADORA1 (0.44) ADORA1ADORA2AADORA2BADORA3
SCHEMBL2811069 0.83 ADORA1 (0.44) ADORA1ADORA2AADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US claimed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US claimed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP claimed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO claimed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ADORA1 3/4885ADORA2A 1/4885ADORA2B 4/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ADORA1 838/4885ADORA2A 2314/4885ADORA2B 1462/4885

“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.