SCHEMBL253674

SCHEMBL253674

C#Cc1nc(N)c2cnn([C@@H](C)CC)c2n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
DHFR P00374 1/20 0.30
SLC2A1 P11166 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
SCHEMBL23059276 0.81
SCHEMBL179564 0.81
SCHEMBL23059289 0.77 PDE9A (0.37)
SCHEMBL243654 0.73 PI4KB (0.54) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4572147 0.70 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3
SCHEMBL9884992 0.70 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3
SCHEMBL253874 0.70 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3
SCHEMBL30096023 0.69 MTOR (0.41) DHFRSLC2A1
SCHEMBL21459294 0.65 CDK1 (0.44) SLC2A1
SCHEMBL29399563 0.65 CDK1 (0.44) SLC2A1

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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA ADORA2A 1787/4885ADORA2B 2523/4885ADORA1 2434/4885

“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.