SCHEMBL5030795

SCHEMBL5030795

CCCCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(CCc2ccccc2NC(C)=O)c1=O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 6/20 0.63
ADORA2B P29275 3/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL5030794 0.92 PCK1 (0.56) PCK1ADORA2BADORA2AADORA1RXFP1
SCHEMBL5030792 0.87 PCK1 (0.69) PCK1ADORA2BADORA2AADORA1RXFP1
SCHEMBL4420554 0.87 PCK1 (0.58) PCK1ADORA2BADORA2AADORA1
SCHEMBL5035051 0.85 PCK1 (0.73) PCK1ADORA2BADORA2AADORA1RXFP1
SCHEMBL5033085 0.85 ADORA2B (0.62) PCK1ADORA2BADORA2AADORA1
SCHEMBL5030803 0.82 ADORA2B (0.51) PCK1ADORA2BADORA2AADORA1
SCHEMBL5028591 0.81 PCK1 (0.66) PCK1ADORA2BADORA2AADORA1RXFP1
SCHEMBL3980100 0.81 PCK1 (0.80) PCK1ADORA2BADORA2ARXFP1
SCHEMBL4415494 0.80 PCK1 (0.55) PCK1ADORA2BADORA2AADORA1
SCHEMBL5035087 0.80 PCK1 (0.60) 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 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 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.