SCHEMBL8418288

SCHEMBL8418288

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
GAA P10253 2/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
PDE2A O00408 1/20 0.31
APP P05067 1/20 0.31
PDE1C Q14123 1/20 0.30
PDE9A O76083 2/20 0.30

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
SCHEMBL8418316 0.80 ADORA2A (0.42) KDM4EPDE1CPDE9A
SCHEMBL8226018 0.72 XDH (0.42) XDHGAA
SCHEMBL13057345 0.70 BCDIN3D (0.41) KDM4ELMNA
SCHEMBL31403622 0.69 ADORA2A (0.46) KDM4EPDE1CPDE9A
SCHEMBL13057341 0.69 BCDIN3D (0.43) KDM4EALDH1A1LMNAHTT
SCHEMBL29399563 0.68 CDK1 (0.44) CDK1CCNB1CCNE1CDK2KDM4E
SCHEMBL21459294 0.68 CDK1 (0.44) CDK1CCNB1CCNE1CDK2KDM4E
SCHEMBL29487079 0.67 BCDIN3D (0.53) GAAKDM4EALDH1A1MAPTPDE2A
SCHEMBL31403538 0.66 KDM4E (0.41) CDK1CCNB1CCNE1CDK2KDM4E
SCHEMBL13828357 0.64 PDE2A (0.66) GAAKDM4EALDH1A1MAPTPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934227-B1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2011-12-21 EP disclosed
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 XDH 1071/4885GAA 2805/4885CDK1 1172/4885

“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.