SCHEMBL932846

SCHEMBL932846

Nc1ccc(COC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ADORA3 P0DMS8 2/20 0.65
ADORA2A P29274 2/20 0.65
ADORA2B P29275 2/20 0.65
DPP4 P27487 1/20 0.65
MEN1 O00255 1/20 0.65
SLC28A1 O00337 1/20 0.65
MAP3K7 O43318 1/20 0.65
SLC28A2 O43868 1/20 0.65
GAPDH P04406 1/20 0.65
MAPK1 P28482 1/20 0.65
STAT6 P42226 1/20 0.65
PI4KA P42356 1/20 0.65
KMT2A Q03164 1/20 0.65
PI4K2B Q8TCG2 1/20 0.65
DOT1L Q8TEK3 1/20 0.65
SLC29A1 Q99808 1/20 0.65
PI4K2A Q9BTU6 1/20 0.65
SLC28A3 Q9HAS3 1/20 0.65

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
SCHEMBL62486 0.94 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269154 0.92 PDE2A (0.66) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269131 0.92 ADORA1 (0.62) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL4541368 0.92 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13269088 0.92 ADORA1 (0.62) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL622588 0.92 ADORA1 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL22458248 0.91 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL4537888 0.91 TRDMT1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL14696730 0.91 ADORA1 (0.60) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL447210 0.90 ADORA1 (0.62) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
CN-102812033-B N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2015-11-25 CN disclosed
EP-2295434-B1 Substituted 8-heteroaryl xanthines DOGWOOD PHARMACEUTICALS INC (US) 2015-09-30 EP disclosed
EP-2029143-B1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2015-07-08 EP disclosed
CN-104382924-A N6-substituted adenosine derivative and N6-substituted adenine derivative and application thereof INST MATERIA MEDICA CAMS 2015-03-04 CN disclosed
EP-1658291-B1 SUBSTITUTED 8-HETEROARYL XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2013-10-02 EP disclosed
US-8501941-B2 Methods for the synthesis of unsymmetrical cycloakyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
CN-103145712-A Substituted 8-[6-amino-3-pyridyl]xanthenes PGXHEALTH LLC 2013-06-12 CN disclosed
US-8420813-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
CN-1894250-A Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS LLC (US) 2007-01-10 CN disclosed
WO-2006091898-A2 PYRAZOLYL SUBSTITUTED XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2006-08-31 WO disclosed
WO-2006091936-A2 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOALKYL SUBSTITUTED XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2006-08-31 WO disclosed
EP-1658291-A2 SUBSTITUTED 8-HETEROARYL XANTHINES Adenosine Therapeutics, LLC (US) 2006-05-24 EP disclosed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US disclosed
WO-2005021548-A2 SUBSTITUTED 8-HETEROARYL XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2005-03-10 WO disclosed
US-6545002-B1 Treating asthma, diarrhea, insulin resistance, diabetes, ischemia/reprefusion injuries, diabetic retinopathy or hyperbaric oxygen-induced retinopathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2003-04-08 US disclosed
EP-1192158-A2 SUBSTITUTED 8-PHENYLXANTHINES USEFUL AS ANTAGONISTS OF A 2B? ADENOSINE RECEPTORS University of Virginia Patent Foundation (US) 2002-04-03 EP disclosed
WO-2000073307-A2 SUBSTITUTED 8-PHENYLXANTHINES USEFUL AS ANTAGONISTS OF A2B ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-12-07 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-20050065341-A1 Substituted 8-heteroaryl xanthines ADORA2B, ADORA2A, ADORA3 ADORA1 4/4885SMN1; SMN2 3702/4885ADORA3 3/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 ADORA1 3/4885SMN1; SMN2 330/4885ADORA3 2/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA1 3/4885SMN1; SMN2 330/4885ADORA3 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.