SCHEMBL5401987

SCHEMBL5401987

CCCCCCCCCCNc1nc(N)c2ncn(CC)c2n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.65
ADORA1 P30542 5/20 0.65
TMIGD3 P0DMS9 4/20 0.65
ADORA2B P29275 2/20 0.65
CDK1 P06493 5/20 0.56
CDK2 P24941 2/20 0.56
CCNB1 P14635 1/20 0.56
CCNE1 P24864 1/20 0.56
ALDH1A1 P00352 1/20 0.50
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
CTSL P07711 1/20 0.46
PRKCA P17252 1/20 0.46

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
SCHEMBL7204517 0.83 ADORA2A (0.72) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL10047141 0.82 ADORA2A (0.51) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL5161308 0.82 ADORA2A (0.87) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL24208062 0.82 TMIGD3 (0.58) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL10047144 0.81 ADORA2A (0.52) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL23422139 0.80 ADORA2A (0.59) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL5161096 0.80 TMIGD3 (0.86) ADORA2AADORA1TMIGD3ADORA2BCTSL
SCHEMBL18563908 0.80 TMIGD3 (0.61) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL7206011 0.80 ADORA2A (0.73) ADORA2AADORA1TMIGD3ADORA2BPI4KA
SCHEMBL5161160 0.79 ADORA1 (1.00) ADORA2AADORA1TMIGD3ADORA2BCDK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238700-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
EP-1401837-B1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed
US-20040209899-A1 A2B adenosine receptor antagonists PALLE VENKATA (IN) 2004-10-21 US disclosed
US-6770651-B2 THERAPY FOR ASTHMA, DIARRHEA PALLE VENKATA (US) 2004-08-03 US disclosed
EP-1401837-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-03-31 EP disclosed
US-20030064999-A1 A2B adenosine receptor antagonists PALLE VENKATA (US) 2003-04-03 US disclosed
WO-2003006465-A1 PARTIAL AND FULL AGONIST OF A ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-01-23 WO disclosed
WO-2003002566-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-01-09 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 (2 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-20030064999-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TMIGD3 2403/4885
US-20040209899-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TMIGD3 4245/4885

“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.