SCHEMBL8221256

SCHEMBL8221256

Cc1n[nH]c2cc(F)c(C(C)C)cc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
EIF4A3 P38919 1/20 0.36
MAPK1 P28482 3/20 0.34
DYRK1A Q13627 1/20 0.34
CYP1A2 P05177 1/20 0.32
CHEK1 O14757 1/20 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
SCHEMBL27439667 0.93 ADORA2A (0.45) ADORA2AADORA2BEIF4A3MAPK1DYRK1A
SCHEMBL13394497 0.83 PDPK1 (0.40) EIF4A3MAPK1DYRK1A
SCHEMBL5681952 0.81 ADORA2A (0.53) ADORA2AADORA2BMAPK1DYRK1ACYP1A2
SCHEMBL8415606 0.78 ADORA2A (0.50) ADORA2AADORA2BMAPK1DYRK1ACYP1A2
SCHEMBL25843809 0.76 EIF4A3 (0.39) EIF4A3
SCHEMBL13122059 0.76 ADORA2A (0.52) ADORA2AADORA2BMAPK1CYP1A2CHEK1
SCHEMBL23867190 0.76 LRRK2 (0.48)
SCHEMBL562141 0.75 ADORA2A (0.47) ADORA2AADORA2BMAPK1DYRK1ACYP1A2
SCHEMBL8273052 0.75 ADORA2A (0.47) ADORA2AADORA2BDYRK1ACYP1A2CHEK1
SCHEMBL24747202 0.75 ADORA2A (0.47) ADORA2AADORA2BMAPK1DYRK1ACYP1A2

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 1/4885ADORA2B 4/4885EIF4A3 1159/4885

“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.