SCHEMBL23902886

SCHEMBL23902886

Cn1nc2ncnc-2c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PI4KB Q9UBF8 2/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
LIMK1 P53667 1/20 0.32
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKDC P78527 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL23902889 0.75 PI4KB (0.35) ADORA2AADORA1PI4KBPI4KAPI4K2B
SCHEMBL16597190 0.64 EPHX2 (0.40) ADORA2AADORA1PI4KBPI4KAPI4K2B
SCHEMBL1914 0.62 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL21737395 0.58
SCHEMBL2948983 0.57 ADORA2A (0.37) ADORA2AADORA1PI4KBPI4KAPI4K2B
SCHEMBL3084463 0.55
SCHEMBL1232190 0.55
SCHEMBL1276952 0.55 ADORA2A (0.46) ADORA2AADORA1PI4KBPI4KAPI4K2B
SCHEMBL5989622 0.55 ADORA2A (0.41) ADORA2AADORA1MTORPIK3CGADORA2B
SCHEMBL6260722 0.54 ADORA2A (0.46) ADORA2AADORA1PI4KBPI4KAPI4K2B

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-20210309688-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-07 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-20210309688-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 ADORA2A 4256/4885ADORA1 3850/4885PI4KB 3092/4885

“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.