SCHEMBL5398282

SCHEMBL5398282

CC(C)Cn1c(-c2ncccn2)nc2c(N)nc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
FBP1 P09467 4/20 0.40
CYP1A2 P05177 1/20 0.38
SLC29A1 Q99808 1/20 0.36
TLR7 Q9NYK1 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
NUDT1 P36639 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5410118 0.80 TLR7 (0.45) ADORA2AADORA3ADORA2BADORA1CCNE1
SCHEMBL5390832 0.73 ILK (0.44) FBP1TLR7LMNAKDM4EALDH1A1
SCHEMBL3441222 0.71 ALDH1A1 (0.46) ADORA2AADORA3ADORA2BADORA1CCNE1
SCHEMBL5396347 0.69 TLR7 (0.40) ADORA2AADORA3ADORA2BADORA1TLR7
SCHEMBL5438145 0.66 TLR7 (0.44) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL12472894 0.64 CDK1 (0.43) ADORA2AADORA3ADORA2BADORA1CCNE1
SCHEMBL5730523 0.64 ADORA2A (0.41) ADORA2AADORA3ADORA2BADORA1FBP1
SCHEMBL6849155 0.64 ADORA3 (0.34) ADORA2AADORA3ADORA2BADORA1CCNE1
SCHEMBL6849150 0.64 ADORA3 (0.34) ADORA2AADORA3ADORA2BADORA1CCNE1
SCHEMBL5401433 0.63 TLR7 (0.40) ADORA2AADORA3ADORA2BADORA1CCNE1

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 2/4885ADORA3 4/4885ADORA2B 1/4885
US-20040209899-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA3 4/4885ADORA2B 1/4885

“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.