SCHEMBL22016238

SCHEMBL22016238

Cn1c(=O)n(C(C)(C)C)c(=O)c2cccnc21

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.63
GRM4 Q14833 2/20 0.45
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
TNKS O95271 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
TP53 P04637 1/20 0.36
BRD4 O60885 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4547805 0.87 FEN1 (0.50) FEN1GRM4HPGDKDM4EALDH1A1
SCHEMBL20182593 0.82 FEN1 (0.53) FEN1GRM4EGFRSRCTNKS
SCHEMBL299224 0.82 FEN1 (0.73) FEN1GRM4EGFRSRCTNKS
SCHEMBL29960173 0.78 FEN1 (1.00) FEN1GRM4EGFRSRCTNKS
SCHEMBL18687483 0.78 FEN1 (1.00) FEN1GRM4EGFRSRCTNKS
SCHEMBL22017688 0.76 FEN1 (0.65) FEN1GRM4EGFRSRCTNKS
SCHEMBL22016241 0.76 TNF (0.43) FEN1GRM4HPGDKDM4EALDH1A1
SCHEMBL22016242 0.75 GRM4 (0.44) FEN1GRM4HPGDKDM4EALDH1A1
SCHEMBL22016243 0.75 GRM4 (0.42) FEN1GRM4HPGDALDH1A1PDE4D
SCHEMBL22853026 0.74 L3MBTL1 (0.40) FEN1HPGDKDM4EALDH1A1CYP1A2

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 FEN1 4719/4885GRM4 3533/4885EGFR 4516/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 FEN1 4719/4885GRM4 3533/4885EGFR 4516/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B FEN1 4828/4885GRM4 2063/4885EGFR 3136/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 FEN1 4719/4885GRM4 3533/4885EGFR 4516/4885

“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.