SCHEMBL2809155

SCHEMBL2809155

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

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.70
ADORA2A P29274 4/20 0.51
ADORA3 P0DMS8 5/20 0.50
ADORA2B P29275 2/20 0.50
HTR2C P28335 1/20 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
SCHEMBL4230273 1.00 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL3913337 1.00 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL2832621 1.00 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL4618979 0.94 ADORA1 (0.72) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL6841625 0.90 ADORA2A (0.56) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6876893 0.90 ADORA1 (0.56) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6838893 0.90 ADORA1 (0.58) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL3914192 0.88 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL3914182 0.88 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BHTR2C
SCHEMBL8090571 0.88 ADORA3 (0.58) ADORA1ADORA2AADORA3ADORA2BHTR2C

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
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 US disclosed
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-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 EP 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 (3 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 1/4885ADORA3 2/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ADORA1 838/4885ADORA2A 2314/4885ADORA3 545/4885
US-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885ADORA3 3/4885

“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.