SCHEMBL8418316

SCHEMBL8418316

CC(Cl)n1ncc2c(Cl)nc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
HSP90AA1 P07900 6/20 0.41
TRAP1 Q12931 4/20 0.41
HSP90AB1 P08238 1/20 0.40
HSP90B1 P14625 1/20 0.39
ADA P00813 1/20 0.37
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
PDE1C Q14123 2/20 0.34
PDE9A O76083 5/20 0.34
SLC2A1 P11166 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32

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
SCHEMBL31403622 0.89 ADORA2A (0.46) ADORA2AADORA1HSP90AA1TRAP1HSP90AB1
SCHEMBL8418288 0.80 XDH (0.35) KDM4EPDE1CPDE9A
SCHEMBL17889388 0.76 PDE2A (0.47) ADORA2AADORA1HSP90AA1TRAP1HSP90AB1
SCHEMBL28688151 0.73 HSP90AA1 (0.48) ADORA2AADORA1HSP90AA1TRAP1HSP90AB1
SCHEMBL2357706 0.71 KDM4E (0.43) KDM4EKMT2APDE1CPDE9A
SCHEMBL21459294 0.71 CDK1 (0.44) KDM4EKMT2APDE1CPDE9ASLC2A1
SCHEMBL29399563 0.71 CDK1 (0.44) KDM4EKMT2APDE1CPDE9ASLC2A1
SCHEMBL23918240 0.70 KDM4E (0.42) KDM4EKMT2APDE1CPDE9A
SCHEMBL31051051 0.70 KDM4E (0.42) KDM4EKMT2APDE1CPDE9A
SCHEMBL8221333 0.69 HSP90AA1 (0.52) ADORA2AADORA1HSP90AA1TRAP1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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 (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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885HSP90AA1 3512/4885

“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.