SCHEMBL4419729

SCHEMBL4419729

CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(CCc2ccc(N)cc2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.64
ADORA2A P29274 5/20 0.64
PCK1 P35558 1/20 0.62
ADORA1 P30542 3/20 0.57
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
SIRT5 Q9NXA8 1/20 0.56

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 0.94 ADORA2B (0.71) ADORA2BADORA2AADORA1SIRT1SIRT3
SCHEMBL14454049 0.93 ADORA2B (0.62) ADORA2BADORA2APCK1ADORA1SIRT1
SCHEMBL4413115 0.91 PCK1 (0.61) ADORA2BADORA2APCK1ADORA1
SCHEMBL4563739 0.90 ADORA2A (0.59) ADORA2BADORA2APCK1ADORA1SIRT1
SCHEMBL5035026 0.90 ADORA2A (0.62) ADORA2BADORA2APCK1ADORA1SIRT1
SCHEMBL14011145 0.90 PCK1 (0.56) ADORA2BADORA2APCK1SIRT1SIRT3
SCHEMBL4563476 0.90 ADORA2B (0.64) ADORA2BADORA2AADORA1SIRT1SIRT3
SCHEMBL4416337 0.89 ADORA2B (0.58) ADORA2BADORA2APCK1ADORA1SIRT1
SCHEMBL14011143 0.89 PCK1 (0.55) ADORA2BADORA2APCK1SIRT1SIRT3
SCHEMBL5030849 0.89 ADORA2A (0.65) ADORA2BADORA2AADORA1SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601649-A4 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA INC (US) 2009-03-04 EP claimed
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2008-11-27 US claimed
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 claimed
US-20070161629-A1 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2007-07-12 US claimed
US-7202252-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-04-10 US claimed
EP-1601649-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea Inc. (US) 2005-12-07 EP claimed
US-20050119258-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-06-02 US claimed
WO-2004074247-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-09-02 WO claimed
EP-1601649-A4 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA INC (US) 2009-03-04 EP disclosed
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2008-11-27 US disclosed
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2008-11-27 US disclosed
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-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-7202252-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-04-10 US disclosed
US-7202252-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-04-10 US disclosed
US-7202252-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-04-10 US disclosed
EP-1601649-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea Inc. (US) 2005-12-07 EP disclosed
US-20050119258-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-06-02 US disclosed
WO-2004074247-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-09-02 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-20050119258-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885PCK1 3496/4885
US-20070161629-A1 A1 Adenosine Receptor Antagonists ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885PCK1 3496/4885
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885PCK1 3496/4885

“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.