SCHEMBL30003477

SCHEMBL30003477

Cc1ccc(N2CCCC(N)C2)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.50
TLR8 Q9NR97 1/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
PIM1 P11309 5/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
CTSB P07858 2/20 0.42
PIM2 Q9P1W9 4/20 0.42

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
SCHEMBL17840411 0.83 TLR8 (0.65) PBKTLR8
Hydrochloric Acid SCHEMBL18992266 0.83 PBK (0.46) PBKTLR8PIM1ROCK2ROCK1
SCHEMBL17840412 0.83 TLR8 (0.65) PBKTLR8
Hydrochloric Acid SCHEMBL30571031 0.83 PBK (0.46) PBKTLR8PIM1ROCK2ROCK1
SCHEMBL23102216 0.80 TLR8 (0.53) TLR8MEN1USP2KMT2ASMN1; SMN2
SCHEMBL29576925 0.80 TLR8 (0.53) TLR8MEN1USP2KMT2ASMN1; SMN2
SCHEMBL19000097 0.80 TLR8 (0.53) TLR8MEN1USP2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL18980575 0.79 TLR8 (0.52) TLR8MEN1USP2KMT2ASMN1; SMN2
SCHEMBL23264097 0.79 TLR8 (0.57) TLR8MEN1USP2KMT2ASMN1; SMN2
SCHEMBL21645214 0.77 TLR8 (0.73) TLR8MEN1USP2KMT2ASMN1; SMN2

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-20220363665-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-17 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-20220363665-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, NQO2 PBK 1982/4885TLR8 1941/4885MEN1 98/4885

“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.