SCHEMBL5028573

SCHEMBL5028573

CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(CCc2ncno2)c1=O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.62
ADORA2A P29274 4/20 0.62
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ADORA1 P30542 2/20 0.51

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
SCHEMBL5028596 0.86 ADORA2B (0.71) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5030717 0.84 ADORA2B (0.49) ADORA2BADORA2AADORA1
SCHEMBL5031570 0.81 ADORA2B (0.49) ADORA2BADORA2AADORA1
SCHEMBL5030849 0.81 ADORA2A (0.65) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL4419729 0.81 ADORA2B (0.64) ADORA2BADORA2AADORA1
SCHEMBL4563476 0.81 ADORA2B (0.64) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5033080 0.80 ADORA2B (0.66) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5033085 0.79 ADORA2B (0.62) ADORA2BADORA2AADORA1
SCHEMBL5035042 0.79 ADORA2A (0.62) ADORA2BADORA2AKDM4EMEN1ALDH1A1
SCHEMBL5035068 0.79 ADORA2B (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2008-11-27 US disclosed
US-7423041-B2 e.g. 3-[2-(4-Aminophenyl)ethyl]-8-benzyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2008-09-09 US disclosed
US-20070161629-A1 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2007-07-12 US disclosed
US-7202252-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-04-10 US disclosed
US-20050119258-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-06-02 US 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-20050119258-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885KDM4E 4460/4885
US-20070161629-A1 A1 Adenosine Receptor Antagonists ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885KDM4E 4460/4885
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885KDM4E 4460/4885

“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.