SCHEMBL5162419

SCHEMBL5162419

CCn1cnc2c(N)nc(NCc3ccccc3)nc21

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.82
ADORA1 P30542 9/20 0.82
TMIGD3 P0DMS9 6/20 0.82
ADORA2B P29275 6/20 0.80
CDK1 P06493 2/20 0.56
CCNB1 P14635 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
TLR9 Q9NR96 1/20 0.53
TLR7 Q9NYK1 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL5161160 0.89 ADORA1 (1.00) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL7204064 0.88 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL5161308 0.87 ADORA2A (0.87) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL15756430 0.84 ADORA2A (0.73) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL7209250 0.84 ADORA2A (0.69) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL7212614 0.81 ADORA2A (0.72) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL7204756 0.81 PDE4A (0.65) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL7206011 0.80 ADORA2A (0.73) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5162113 0.80 ADORA1 (1.00) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL7204517 0.79 ADORA2A (0.72) ADORA2AADORA1TMIGD3ADORA2BTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009052310-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2009-04-23 WO disclosed
US-20090099212-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS ZABLOCKI JEFF 2009-04-16 US disclosed
US-20090099212-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS ZABLOCKI JEFF 2009-04-16 US disclosed
US-7238700-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7238700-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
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 (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-20090099212-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA1 4/4885TMIGD3 2761/4885
US-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA1 4/4885TMIGD3 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.