SCHEMBL1497612

SCHEMBL1497612

O=C(CNc1ccc(-c2nc3c([nH]2)c(=O)n(CC2CC2)c(=O)n3CC2CC2)cn1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 13/20 0.47
ADORA2A P29274 12/20 0.47
ADORA1 P30542 9/20 0.47
ADORA3 P0DMS8 7/20 0.47
PDE5A O76074 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PCK1 P35558 1/20 0.38

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
SCHEMBL1497311 0.87 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL1497167 0.86 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL1497268 0.86 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL1497823 0.86 ADORA2A (0.46) ADORA2BADORA2AADORA1ADORA3PDE5A
SCHEMBL1497275 0.84 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL1497250 0.83 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL1497266 0.82 ALDH1A1 (0.61) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL9885721 0.81 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3PDE5A
SCHEMBL9885719 0.80 ADORA2A (0.48) ADORA2BADORA2AADORA1ADORA3PDE5A
SCHEMBL27667749 0.80 ALDH1A1 (0.47) ADORA2BADORA2AADORA1ADORA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658291-B1 SUBSTITUTED 8-HETEROARYL XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2013-10-02 EP claimed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US claimed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US claimed
EP-1658291-A2 SUBSTITUTED 8-HETEROARYL XANTHINES Adenosine Therapeutics, LLC (US) 2006-05-24 EP claimed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US claimed
WO-2005021548-A2 SUBSTITUTED 8-HETEROARYL XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2005-03-10 WO claimed
EP-2295434-B1 Substituted 8-heteroaryl xanthines DOGWOOD PHARMACEUTICALS INC (US) 2015-09-30 EP disclosed
EP-1658291-B1 SUBSTITUTED 8-HETEROARYL XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2013-10-02 EP disclosed
EP-2295434-A2 Substituted 8-heteroaryl xanthines Adenosine Therapeutics, LLC (US) 2011-03-16 EP disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US 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

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-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20050065341-A1 Substituted 8-heteroaryl xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.