SCHEMBL22016242

SCHEMBL22016242

Cn1c(=O)n(C(C)(C)C)c(=O)c2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
FEN1 P39748 2/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK14 Q16539 1/20 0.35
HPD P32754 2/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 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
SCHEMBL4547799 0.87 SMN1; SMN2 (0.39) GRM4ADORA3ADORA2AADORA1FEN1
SCHEMBL13819108 0.82 ADORA2A (0.53) GRM4ADORA3ADORA2AADORA1FEN1
SCHEMBL22017690 0.76 GRM4 (0.45) GRM4ADORA3ADORA2AADORA1FEN1
SCHEMBL22016241 0.76 TNF (0.43) GRM4ADORA3ADORA2AADORA1FEN1
SCHEMBL24312321 0.75 HPD (0.33) MAPTALDH1A1HTTHSD17B10HPD
SCHEMBL22016238 0.75 FEN1 (0.63) GRM4FEN1ALDH1A1KDM4ETP53
SCHEMBL10233347 0.72 HPD (0.44) FEN1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2628342 0.71 ADORA3 (0.54) GRM4ADORA3ADORA2AADORA1MAPT
SCHEMBL21676753 0.71 ADORA3 (0.41) GRM4ADORA3ADORA2AADORA1FEN1
SCHEMBL3096669 0.69 BRD4 (0.46) GRM4ADORA3FEN1MAPTSMN1; 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 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 3533/4885ADORA3 1752/4885ADORA2A 1362/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GRM4 3533/4885ADORA3 1752/4885ADORA2A 1362/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B GRM4 2063/4885ADORA3 1388/4885ADORA2A 2215/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 GRM4 3533/4885ADORA3 1752/4885ADORA2A 1362/4885

“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.