SCHEMBL743431

SCHEMBL743431

OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4F)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.68
ADORA3 P0DMS8 4/20 0.68
ADORA2A P29274 3/20 0.68
ADORA2B P29275 2/20 0.68
NT5E P21589 2/20 0.63
MEN1 O00255 1/20 0.63
CYP1A2 P05177 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL743432 1.00 ADORA1 (0.68) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL3945901 1.00 ADORA1 (0.68) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL743029 0.91 NT5E (0.73) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL743030 0.91 NT5E (0.73) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL741504 0.90 PAX8 (0.75) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL741505 0.90 PAX8 (0.75) ADORA1ADORA3ADORA2AADORA2BNT5E
SCHEMBL4797211 0.89 SLC29A1 (0.70) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3949659 0.88 ADORA2A (0.63) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5393426 0.88 ADORA2A (0.63) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL7080749 0.87 ADORA3 (0.80) ADORA1ADORA3ADORA2AADORA2BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
EP-2430036-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-03-21 EP disclosed
WO-2010130233-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-11-18 WO disclosed
US-7262176-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
EP-1414837-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed
US-20040116376-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-17 US disclosed
EP-1414837-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-05-06 EP disclosed
US-20030078232-A1 Adenosine receptor A3 agonists CV THERAPEUTICS, INC. 2003-04-24 US disclosed
WO-2003014137-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2003-02-20 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP ADORA1 340/4885ADORA3 363/4885ADORA2A 111/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP ADORA1 147/4885ADORA3 191/4885ADORA2A 76/4885
US-20030078232-A1 Adenosine receptor A3 agonists ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA3 1/4885ADORA2A 2/4885

“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.