SCHEMBL17897239

SCHEMBL17897239

COc1cc(C)cc2c1nc(N)n1nc(CN3C4CCC3CN(C)C4)nc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.44
ADORA1 P30542 16/20 0.44
KCNH2 Q12809 13/20 0.44
ADORA2B P29275 1/20 0.41

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
SCHEMBL17897241 0.86 ADORA2A (0.44) ADORA2AADORA1KCNH2ADORA2B
SCHEMBL17897228 0.76 ADORA2A (0.47) ADORA2AADORA1KCNH2
SCHEMBL17897229 0.71 ADORA2A (0.59) ADORA2AADORA1KCNH2
SCHEMBL22060872 0.68 ADORA2A (0.83) ADORA2AADORA2B
SCHEMBL17897295 0.68 ADORA2A (0.50) ADORA2AADORA2B
SCHEMBL15858051 0.67 ADORA2A (0.49) ADORA2AADORA1KCNH2ADORA2B
SCHEMBL26119156 0.67 ADORA2A (0.51) ADORA2AADORA2B
SCHEMBL17897304 0.67 ADORA2A (0.77) ADORA2AADORA1KCNH2
SCHEMBL17897199 0.67 ADORA2A (0.64) ADORA2AADORA1KCNH2
SCHEMBL27164675 0.65 ADORA2A (0.48) ADORA2AADORA1KCNH2ADORA2B

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-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-07-07 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-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885KCNH2 1014/4885

“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.