SCHEMBL17838962

SCHEMBL17838962

Nc1nnc(-c2ccc(F)c(F)c2)c(-c2ccccc2)n1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.76
ADORA1 P30542 19/20 0.76
ADORA2B P29275 3/20 0.63
CSNK1A1 P48729 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53

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
SCHEMBL2320379 0.87 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL2320502 0.87 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL2319807 0.86 ADORA2A (0.71) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL2319792 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL28799845 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL2322771 0.83 ADORA1 (0.79) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL2327936 0.83 ADORA2A (0.66) ADORA2AADORA1ADORA2B
SCHEMBL2324215 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL30186658 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL2322670 0.83 ADORA2A (0.74) ADORA2AADORA1ADORA2BCSNK1A1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LIMITED (GB) 2016-06-23 US claimed

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-20160175314-A1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885ADORA2B 1/4885

“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.