SCHEMBL24965477

SCHEMBL24965477

CC(C)(C)c1nccc(C(C)(C)N)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NUDT1 P36639 3/20 0.33
SYK P43405 2/20 0.33
MAP4K1 Q92918 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL279200 0.85 SYK (0.39) ADORA2AADORA1SYK
SCHEMBL1118241 0.84 MALT1 (0.45) MAP4K1
SCHEMBL19670056 0.79 ADORA2A (0.33) ADORA2AADORA1SYK
SCHEMBL2625468 0.79 ADRB1 (0.41) SYK
SCHEMBL27269565 0.79 ADORA2A (0.33) ADORA2AADORA1SYK
SCHEMBL12553829 0.79 IDH1 (0.33) ADORA2AADORA1SYK
SCHEMBL18532095 0.76 ADORA2A (0.34) ADORA2AADORA1
SCHEMBL17816271 0.75 JAK2 (0.42) ADORA2AADORA1
SCHEMBL1828405 0.74 NOS3 (0.37) ADORA2AADORA1NUDT1
SCHEMBL24349548 0.73 HMGCR (0.33) ADORA2AADORA1

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-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 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-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 ADORA2A 330/4885ADORA1 575/4885NUDT1 1519/4885

“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.