SCHEMBL22017499

SCHEMBL22017499

CC(C)(C)n1c(=O)[nH]c2nccnc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
APAF1 O14727 1/20 0.38
CASP6 P55212 1/20 0.38
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
DAO P14920 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
GSK3A P49840 4/20 0.33
GSK3B P49841 4/20 0.33
CDK1 P06493 3/20 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
SCHEMBL5468206 0.77 APAF1 (0.62) LMNAMAPTKDM4EAPAF1CASP6
SCHEMBL24312097 0.76 ADORA3 (0.47) LMNAMAPTKDM4EADORA2AADORA2B
SCHEMBL22017502 0.76 FEN1 (0.60) MAPTKDM4EFEN1ALDH1A1DAO
SCHEMBL29407515 0.76 FEN1 (0.60) MAPTKDM4EFEN1ALDH1A1DAO
SCHEMBL16598566 0.73 LMNA (0.35) LMNAKDM4EGSK3AGSK3BCDK1
SCHEMBL12372609 0.71 DAO (0.58) FEN1ALDH1A1DAOAURKA
SCHEMBL7018089 0.70 KDM4E (0.43) LMNAKDM4EAPAF1CASP6ADORA2A
SCHEMBL7018087 0.70 KDM4E (0.43) LMNAKDM4EAPAF1CASP6ADORA2A
SCHEMBL16598654 0.70 GRM4 (0.45) KDM4E
SCHEMBL22017504 0.69 GRM4 (0.40) LMNAMAPTKDM4EAPAF1CASP6

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 LMNA 2900/4885MAPT 949/4885KDM4E 2522/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LMNA 2900/4885MAPT 949/4885KDM4E 2522/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B LMNA 2991/4885MAPT 2929/4885KDM4E 1390/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 LMNA 2900/4885MAPT 949/4885KDM4E 2522/4885

“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.