SCHEMBL22016243

SCHEMBL22016243

Cn1c(=O)n(C(C)(C)C)c(=O)c2cncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
ALDH1A1 P00352 7/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 11/20 0.37
CYP3A4 P08684 9/20 0.37
TSHR P16473 5/20 0.37
CLK4 Q9HAZ1 4/20 0.37
HSD17B10 Q99714 7/20 0.35
USP2 O75604 5/20 0.35
FEN1 P39748 1/20 0.35
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPK1 P28482 1/20 0.33
PIK3CD O00329 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4547804 0.87 GRM4 (0.34) GRM4ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL3894441 0.82 MAPT (0.50) GRM4ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL24312321 0.75 HPD (0.33) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL22016238 0.75 FEN1 (0.63) GRM4ALDH1A1CYP1A2FEN1CYP2C9
SCHEMBL22016240 0.72 GRM4 (0.43) GRM4FEN1ADORA3ACHEADORA2A
SCHEMBL13172843 0.71 PI4KA (0.41) GRM4ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL23471442 0.71 CYP1A2 (0.40) GRM4ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL22016241 0.69 TNF (0.43) GRM4ALDH1A1MAPTFEN1CYP2C19
SCHEMBL22016239 0.69 ADORA3 (0.43) GRM4FEN1ADORA3ADORA2AADORA1
SCHEMBL22017504 0.69 GRM4 (0.40) GRM4ALDH1A1MAPTCYP3A4TSHR

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 3533/4885ALDH1A1 476/4885MAPT 949/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GRM4 3533/4885ALDH1A1 476/4885MAPT 949/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B GRM4 2063/4885ALDH1A1 838/4885MAPT 2929/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 GRM4 3533/4885ALDH1A1 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.