SCHEMBL22017504

SCHEMBL22017504

CC(C)(C)n1c(=O)[nH]c2ncncc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
APAF1 O14727 1/20 0.33
CASP6 P55212 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 3/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL22017502 0.75 FEN1 (0.60) GRM4MAPTFEN1ALDH1A1KDM4E
SCHEMBL24312430 0.75 LMNA (0.36) LMNAMAPTAPAF1CASP6
SCHEMBL29407515 0.75 FEN1 (0.60) GRM4MAPTFEN1ALDH1A1KDM4E
SCHEMBL22017503 0.72 FEN1 (0.60) LMNAMAPTFEN1ADORA2AADORA2B
SCHEMBL9885813 0.72 MTOR (0.45) GRM4LMNAALDH1A1ADORA2AADORA2B
SCHEMBL25823793 0.71 TNKS (0.36) LMNAMAPTALDH1A1RETKDR
SCHEMBL4547804 0.71 GRM4 (0.34) GRM4LMNAALDH1A1CYP3A4TSHR
SCHEMBL22017499 0.69 LMNA (0.39) LMNAMAPTAPAF1CASP6FEN1
SCHEMBL22017505 0.69 ADORA3 (0.50) FEN1ALDH1A1ADORA2AKDM4EHPGD
SCHEMBL22016243 0.69 GRM4 (0.42) GRM4MAPTFEN1ALDH1A1ADORA2A

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 GRM4 3533/4885LMNA 2900/4885MAPT 949/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GRM4 3533/4885LMNA 2900/4885MAPT 949/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B GRM4 2063/4885LMNA 2991/4885MAPT 2929/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 GRM4 3533/4885LMNA 2900/4885MAPT 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.