SCHEMBL22749313

SCHEMBL22749313

CC(Nc1c(N)cnc2ccccc12)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
PLK1 P53350 6/20 0.39
ATM Q13315 1/20 0.38
NCF1 P14598 1/20 0.38
APP P05067 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
KDM1A O60341 1/20 0.36
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
CHEK1 O14757 2/20 0.35
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 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
SCHEMBL29508390 1.00 LRRK2 (0.46) LRRK2PLK1ATMNCF1APP
SCHEMBL22749310 1.00 LRRK2 (0.46) LRRK2PLK1ATMNCF1APP
SCHEMBL29508381 0.89 LRRK2 (0.44) LRRK2ATMNCF1APPKDM1A
SCHEMBL21995058 0.89 LRRK2 (0.44) LRRK2ATMNCF1APPKDM1A
SCHEMBL21995056 0.89 LRRK2 (0.44) LRRK2ATMNCF1APPKDM1A
SCHEMBL29508371 0.85 LRRK2 (0.48) LRRK2NCF1APPKDM1AGALR3
SCHEMBL22749278 0.82 LRRK2 (0.41) LRRK2NCF1APPKDM4E
SCHEMBL22749279 0.82 LRRK2 (0.41) LRRK2NCF1APPKDM4E
SCHEMBL4569244 0.82 LRRK2 (0.49) LRRK2PLK1ATMGALR3NR2F2
SCHEMBL10587185 0.82 GALR3 (0.55) LRRK2GALR3NR2F2KDM4EEGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177471-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-06-09 US disclosed
EP-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed
CN-113924297-A N-1 branched alkyl substituted imidazo [4,5-c ] quinoline compounds, compositions, and methods 3M创新有限公司 2022-01-11 CN disclosed
WO-2020245706-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-12-10 WO 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-20220177471-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS IFNG, IFNAR1, IRF3 LRRK2 2522/4885PLK1 2878/4885ATM 3655/4885

“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.