SCHEMBL17897255

SCHEMBL17897255

Cc1cc(F)cc2c1nc(N)n1nc(CCl)nc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.41
PDE10A Q9Y233 1/20 0.39
ADORA2B P29275 7/20 0.38
ADORA1 P30542 2/20 0.37
KCNH2 Q12809 2/20 0.37

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
SCHEMBL15845649 0.88 ADORA2A (0.44) ADORA2AADORA2B
SCHEMBL15858051 0.84 ADORA2A (0.49) ADORA2AADORA2BADORA1KCNH2
SCHEMBL26113066 0.77 ADORA2A (0.43) ADORA2APDE10AADORA2B
SCHEMBL19942003 0.74 ADORA2A (0.37) ADORA2AADORA2BADORA1KCNH2
SCHEMBL15845581 0.74 ADORA2A (0.46) ADORA2AADORA2B
SCHEMBL15858961 0.73 ADORA2A (0.43) ADORA2AADORA1KCNH2
SCHEMBL26330327 0.73 ADORA2A (0.48) ADORA2APDE10AADORA2BADORA1
SCHEMBL15858030 0.73 ADORA2A (0.43) ADORA2AADORA1KCNH2
SCHEMBL17897295 0.72 ADORA2A (0.50) ADORA2AADORA2B
SCHEMBL14843534 0.71 KDM4E (0.38) PDE10AKCNH2

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-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 1/4885PDE10A 509/4885ADORA2B 6/4885

“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.