SCHEMBL3907117

SCHEMBL3907117

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCc5cccc6ccccc56)nc(N5CC[C@@H](N(OC(=O)C(F)(F)F)C(=O)NC6CCNC6)C5)nc43)[C@@H](O)[C@@H]2O)on1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA3 P0DMS8 1/20 0.36
GAPDH P04406 1/20 0.35

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
SCHEMBL4225823 0.90 ADORA2A (0.42) ADORA2AADORA3
SCHEMBL3902105 0.89 ADORA2A (0.34) ADORA2AADORA3
SCHEMBL3914602 0.88 ADORA3 (0.47) ADORA2AADORA3
SCHEMBL4221268 0.88 ADORA2A (0.39) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL3907113 0.88 ADORA2A (0.42) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL3901149 0.88 ADORA2A (0.42) ADORA2AADORA3
SCHEMBL4220541 0.87 ADORA1 (0.39) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL3978976 0.85 ADORA2A (0.43) ADORA2AADORA3
SCHEMBL3978978 0.84 ADORA2A (0.39) ADORA2AADORA3GAPDH
SCHEMBL3978979 0.84 ADORA2A (0.41) ADORA2AADORA3GAPDH

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
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP claimed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US claimed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 ADORA2A 1/4885ADORA3 2/4885GAPDH 1075/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ADORA2A 2314/4885ADORA3 545/4885GAPDH 1515/4885

“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.