SCHEMBL5162113

SCHEMBL5162113

CCCn1cnc2c(N)nc(NCCc3ccccc3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 1.00
ADORA2A P29274 13/20 1.00
TMIGD3 P0DMS9 10/20 1.00
ADORA2B P29275 9/20 1.00
CTSL P07711 1/20 0.53
ADORA3 P0DMS8 3/20 0.52

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
SCHEMBL5161098 0.93 ADORA2A (1.00) ADORA1ADORA2ATMIGD3ADORA2BCTSL
SCHEMBL5161335 0.92 ADORA1 (0.86) ADORA1ADORA2ATMIGD3ADORA2BCTSL
SCHEMBL5161127 0.92 ADORA2A (0.85) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL5164008 0.91 ADORA1 (0.84) ADORA1ADORA2ATMIGD3ADORA2BCTSL
SCHEMBL5161160 0.91 ADORA1 (1.00) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL7209277 0.87 ADORA2A (0.80) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL5161353 0.87 TMIGD3 (0.88) ADORA1ADORA2ATMIGD3ADORA2BCTSL
SCHEMBL5161096 0.86 TMIGD3 (0.86) ADORA1ADORA2ATMIGD3ADORA2BCTSL
SCHEMBL5163682 0.86 ADORA1 (0.75) ADORA1ADORA2ATMIGD3ADORA2BADORA3
SCHEMBL5164024 0.86 ADORA1 (0.74) ADORA1ADORA2ATMIGD3ADORA2BCTSL

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-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 EP disclosed
EP-1456209-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-09-15 EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 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 (1 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-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885ADORA2A 1/4885TMIGD3 1730/4885

“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.