SCHEMBL22016171

SCHEMBL22016171

Cn1c2c(nc(C(C)(C)C)c1=O)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL22016209 0.97 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL24312044 0.72 RXFP1 (0.33) KDM4EKMT2ARXFP1
SCHEMBL22016174 0.69 PLK1 (0.34) KMT2ARXFP1
SCHEMBL15135191 0.68 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL16638735 0.67 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL15135185 0.67 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL23712823 0.66 KDM4E (0.35) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL23712947 0.66 KDM4E (0.35) KDM4EALDH1A1HPGDHTTMEN1
SCHEMBL22016487 0.65 TSHR (0.35) HSD17B10HTTMEN1KMT2ATSHR
SCHEMBL22017506 0.64 PDE2A (0.33) KDM4EALDH1A1HPGDHTTLMNA

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 KDM4E 2522/4885ALDH1A1 476/4885HPGD 585/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885ALDH1A1 476/4885HPGD 585/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM4E 1390/4885ALDH1A1 838/4885HPGD 3133/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM4E 2522/4885ALDH1A1 476/4885HPGD 585/4885

“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.