SCHEMBL22016241

SCHEMBL22016241

Cn1c(=O)n(C(C)(C)C)c(=O)c2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
GRM4 Q14833 1/20 0.40
FEN1 P39748 1/20 0.37
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
PIK3CD O00329 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 2/20 0.35
POLB P06746 2/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
NTSR1 P30989 1/20 0.35
MC3R P41968 1/20 0.35
NOTUM Q6P988 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
GDA Q9Y2T3 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
ATAD2 Q6PL18 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
SCHEMBL4547803 0.86 TNF (0.33) TNFGRM4
SCHEMBL5465654 0.80 ALDH1A1 (0.59) TNFALDH1A1MAPTGRM4FEN1
SCHEMBL4552885 0.79 TNF (0.40) TNFALDH1A1ADORA2AADORA2BADORA1
SCHEMBL22016238 0.76 FEN1 (0.63) ALDH1A1GRM4FEN1PDE4ACYP2C19
SCHEMBL22016242 0.76 GRM4 (0.44) ALDH1A1MAPTGRM4FEN1ADORA2A
SCHEMBL15086862 0.71 LMNA (0.40) ALDH1A1MAPTADORA2AADORA2BPIK3CD
SCHEMBL24312321 0.69 HPD (0.33) ALDH1A1MAPTHPGDHTT
SCHEMBL22016243 0.69 GRM4 (0.42) ALDH1A1MAPTGRM4FEN1ADORA2A
SCHEMBL24400375 0.68 ALDH1A1 (0.42) TNFALDH1A1MAPTGRM4FEN1
SCHEMBL4547799 0.68 SMN1; SMN2 (0.39) ALDH1A1MAPTGRM4FEN1ADORA2A

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (4 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TNF 111/4885ALDH1A1 476/4885MAPT 949/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TNF 111/4885ALDH1A1 476/4885MAPT 949/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B TNF 1480/4885ALDH1A1 838/4885MAPT 2929/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 TNF 111/4885ALDH1A1 476/4885MAPT 949/4885

“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.