SCHEMBL22749293

SCHEMBL22749293

C[C@H](C1CCCCC1)n1cnc2cnc3ccccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.43
USP5 P45974 1/20 0.39
LCK P06239 1/20 0.38
HTT P42858 3/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.36
PDPK1 O15530 2/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
PRKCA P17252 1/20 0.36
JAK1 P23458 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
PDE5A O76074 1/20 0.35
ACP1 P24666 1/20 0.35
GCK P35557 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22749296 1.00 TLR7 (0.43) TLR7USP5LCKHTTMAPT
SCHEMBL29508414 0.78 TLR7 (0.54) TLR7LCKLMNAHPGD
SCHEMBL22749281 0.78 TLR7 (0.54) TLR7LCKLMNAHPGD
SCHEMBL22761484 0.78 TLR7 (0.54) TLR7LCKLMNAHPGD
SCHEMBL22749282 0.78 TLR7 (0.54) TLR7LCKLMNAHPGD
Hydrochloric Acid SCHEMBL22749254 0.77 TLR7 (0.53) TLR7LCKHTTLMNAHPGD
Hydrochloric Acid SCHEMBL22749253 0.77 TLR7 (0.53) TLR7LCKHTTLMNAHPGD
SCHEMBL29508396 0.74 USP5 (0.43) TLR7USP5TSHRLMNAMEN1
SCHEMBL10588992 0.74 MEN1 (0.59) USP5TSHRMEN1HPGDKMT2A
SCHEMBL23909466 0.73 USP5 (0.40) USP5TSHRMEN1HPGDKMT2A

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 3 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
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 TLR7 42/4885USP5 3600/4885LCK 1803/4885

“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.