SCHEMBL1243464

SCHEMBL1243464

CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccccc4)nc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.49
ADORA2A P29274 13/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA1 P30542 9/20 0.47
ADORA3 P0DMS8 7/20 0.47
CHRM4 P08173 1/20 0.46

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
SCHEMBL1243808 0.93 ADORA2A (0.44) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL1002670 0.92 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3
SCHEMBL16299181 0.90 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3CHRM4
SCHEMBL1243367 0.90 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3CHRM4
SCHEMBL1243803 0.90 ADORA2B (0.49) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL1002030 0.90 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3
SCHEMBL9885749 0.90 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3CHRM4
SCHEMBL1242614 0.89 ADORA2B (0.46) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL1242516 0.87 ADORA2B (0.50) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL29462312 0.86 ADORA2B (0.45) ADORA2BADORA2AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029143-B1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2015-07-08 EP disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
WO-2007149277-A2 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES PGX HEALTH, LLC (US) 2007-12-27 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-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885KDM4E 2867/4885
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885KDM4E 2867/4885

“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.