SCHEMBL4413115

SCHEMBL4413115

CCCn1c(=O)c2[nH]c(Cc3ccc(F)cc3)nc2n(CCc2ccc(N)cc2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 2/20 0.61
ADORA2B P29275 6/20 0.61
ADORA2A P29274 5/20 0.61
ADORA1 P30542 3/20 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
SCHEMBL4419729 0.91 ADORA2B (0.64) PCK1ADORA2BADORA2AADORA1
SCHEMBL5033078 0.89 PCK1 (0.56) PCK1ADORA2BADORA2AADORA1
SCHEMBL5033065 0.89 ADORA2B (0.58) PCK1ADORA2BADORA2AADORA1
SCHEMBL5028610 0.87 ADORA2B (0.60) PCK1ADORA2BADORA2AADORA1
SCHEMBL1332581 0.87 CYP3A4 (0.52) PCK1ADORA2BADORA2AADORA1
SCHEMBL5031538 0.87 ADORA2B (0.59) PCK1ADORA2BADORA2AADORA1
SCHEMBL5031663 0.85 ADORA2B (0.58) PCK1ADORA2BADORA2AADORA1
SCHEMBL5028605 0.85 ADORA2B (0.58) PCK1ADORA2BADORA2AADORA1
SCHEMBL5030772 0.85 ADORA2B (0.56) PCK1ADORA2BADORA2AADORA1
SCHEMBL5035028 0.85 ADORA2B (0.56) PCK1ADORA2BADORA2AADORA1

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 PCK1 3496/4885ADORA2B 4/4885ADORA2A 2/4885
US-20070161629-A1 A1 Adenosine Receptor Antagonists ADORA1, ADORA2A, ADORA3 PCK1 3496/4885ADORA2B 4/4885ADORA2A 2/4885
US-20080293705-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 PCK1 3496/4885ADORA2B 4/4885ADORA2A 2/4885

“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.