SCHEMBL4183518

SCHEMBL4183518

CCCn1c(=O)c2c(nc(Cc3ccc(N)cc3)n2CCNCC)n(CCc2cccc(N)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.43
ADORA1 P30542 2/20 0.42
ADORA2A P29274 5/20 0.42
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL4175969 0.96 ADORA2B (0.47) ADORA2BADORA1ADORA2AADORA3TSHR
SCHEMBL4173722 0.93 ADORA1 (0.46) ADORA2BADORA1ADORA2AKMT2AADORA3
SCHEMBL1334339 0.92 ADORA2B (0.48) ADORA2BADORA1ADORA2AKMT2ARXFP1
SCHEMBL1334228 0.90 ADORA2A (0.45) ADORA2BADORA1ADORA2AKMT2AADORA3
SCHEMBL4176171 0.90 ADORA1 (0.41) ADORA2BADORA1ADORA2AKMT2ARXFP1
SCHEMBL1334334 0.89 ADORA2A (0.44) ADORA2BADORA1ADORA2AKMT2AADORA3
SCHEMBL4165162 0.89 ADORA2B (0.48) ADORA2BADORA1ADORA2AADORA3TSHR
SCHEMBL4175968 0.88 ADORA1 (0.51) ADORA2BADORA1ADORA2AKMT2ARXFP1
SCHEMBL1333529 0.86 ADORA3 (0.43) ADORA2BADORA1ADORA2AKMT2ARXFP1
SCHEMBL1334398 0.86 ADORA1 (0.46) ADORA2BADORA1ADORA2AKMT2ATSHR

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
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US claimed
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2007-11-29 US claimed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP claimed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 WO claimed
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US disclosed
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2007-11-29 US disclosed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 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-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility HRH3, HRH1, HRH2 ADORA2B 9/4885ADORA1 4/4885ADORA2A 7/4885
US-20090068101-A9 A1 Adenosine Receptor Antagonists ADORA1, ADORA3, ADORA2A ADORA2B 4/4885ADORA1 1/4885ADORA2A 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.