SCHEMBL23997079

SCHEMBL23997079

CC(C)c1cc2c(cc1Cl)C(=O)N(C)CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GRM5 P41594 1/20 0.42
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ OPRD1 P41143 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ AOC3 Q16853 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL21954905 0.84 LRRK2 (0.43) MEN1KMT2AHTR2AHTR2CDDB1
SCHEMBL21958443 0.78 MEN1 (0.48) MEN1KMT2AGRM5HTR2COPRD1
SCHEMBL21939251 0.78 MEN1 (0.54) MEN1KMT2AGRM5DDB1CRBN
SCHEMBL21954898 0.78 LRRK2 (0.41) MEN1KMT2ADDB1CRBNDRD3
SCHEMBL23865260 0.75 MEN1 (0.54) MEN1KMT2AGRM5DDB1CRBN
SCHEMBL30038949 0.75 MEN1 (0.50) MEN1KMT2AGRM5AOC3DRD2
SCHEMBL13637297 0.72 GRM5 (0.54) MEN1KMT2AGRM5OPRD1DDB1
SCHEMBL19368987 0.72 MEN1 (0.50) MEN1KMT2AGRM5OPRD1DDB1
SCHEMBL8227244 0.72 MEN1 (0.62) MEN1KMT2AGRM5OPRD1DDB1
SCHEMBL31743068 0.71 GRM5 (0.56) MEN1KMT2AGRM5HTR2AHTR2C

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-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-11 — — 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-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, GDI2 MEN1 2367/4885KMT2A 456/4885GRM5 172/4885

“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.

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