SCHEMBL17897229

SCHEMBL17897229

COc1cccc2c1nc(N)n1nc(CN3C4CCC3C3CCC4N3C)nc21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.59
ADORA1 P30542 11/20 0.57
KCNH2 Q12809 9/20 0.57

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
SCHEMBL17897230 0.81 ADORA2A (0.60) ADORA2AADORA1KCNH2
SCHEMBL19003487 0.80 ADORA2A (0.55) ADORA2AADORA1KCNH2
SCHEMBL25418864 0.79 ADORA2A (0.59) ADORA2AADORA1KCNH2
SCHEMBL30427857 0.79 ADORA2A (0.57) ADORA2AADORA1KCNH2
SCHEMBL15845519 0.79 ADORA2A (0.57) ADORA2AADORA1KCNH2
SCHEMBL19104715 0.79 ADORA2A (0.59) ADORA2AADORA1KCNH2
SCHEMBL30428259 0.78 ADORA2A (0.56) ADORA2AADORA1KCNH2
SCHEMBL15845642 0.78 ADORA2A (0.56) ADORA2AADORA1KCNH2
SCHEMBL17897199 0.78 ADORA2A (0.64) ADORA2AADORA1KCNH2
SCHEMBL17897304 0.78 ADORA2A (0.77) ADORA2AADORA1KCNH2

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.