SCHEMBL24499994

SCHEMBL24499994

CC(C)c1nn(C)c2c(N)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.41
ADORA2A P29274 13/20 0.40
ADORA1 P30542 11/20 0.40
ADORA2B P29275 8/20 0.37
PI4KA P42356 4/20 0.37
PI4K2B Q8TCG2 4/20 0.37
PI4K2A Q9BTU6 4/20 0.37
PI4KB Q9UBF8 4/20 0.37
ADORA3 P0DMS8 4/20 0.34
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

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
SCHEMBL20334656 0.81 ADORA2A (0.42) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL20334938 0.80 ADORA2A (0.38) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL20334667 0.79 ADORA2A (0.41) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL13593762 0.77 LIMK1 (0.44) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL6924506 0.72 PIK3CD (0.49) PI4KAPI4K2BPI4K2API4KBPIK3CD
SCHEMBL23239683 0.71 ADORA1 (0.36) LIMK1ADORA2AADORA1ADORA2BADORA3
SCHEMBL24392169 0.69
SCHEMBL459311 0.69 LIMK1 (0.41) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL21159362 0.67 EGFR (0.42) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL19917018 0.67 EGFR (0.42) LIMK1ADORA2AADORA1ADORA2BPI4KA

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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 LIMK1 79/4885ADORA2A 309/4885ADORA1 227/4885

“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.