SCHEMBL22016209

SCHEMBL22016209

Cn1c2c(nc(C(C)(C)C)c1=O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLK1 P53350 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL22016171 0.97 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL22016174 0.72 PLK1 (0.34) KMT2APLK1CSNK2A1PLK3RXFP1
SCHEMBL24312044 0.69 RXFP1 (0.33) KDM4EKMT2APLK1CSNK2A1PLK3
SCHEMBL22016487 0.68 TSHR (0.35) HSD17B10MEN1HTTKMT2APLK1
SCHEMBL10252360 0.67 KDM4E (0.36) ALDH1A1HPGDKDM4E
SCHEMBL22017129 0.67 MEN1 (0.48) ALDH1A1HPGDKDM4EMEN1LMNA
SCHEMBL15135191 0.65 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL22017506 0.64 PDE2A (0.33) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL15135185 0.64 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL16638735 0.63 KDM4E (0.36) ALDH1A1HPGDKDM4EHSD17B10MEN1

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