SCHEMBL22017185

SCHEMBL22017185

O=C(O)c1c(C(F)(F)F)c2ccncc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 10/20 0.50
KDM5B Q9UGL1 2/20 0.47
PARP1 P09874 4/20 0.47
CSNK2A1 P68400 1/20 0.45
KDM5C P41229 1/20 0.44
KIF11 P52732 1/20 0.43
PADI4 Q9UM07 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CHUK O15111 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP2 P11137 1/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL21956760 0.84 KDM5A (0.52) KDM5AKDM5BPARP1CSNK2A1KDM5C
SCHEMBL22017182 0.78 PARP1 (0.50) KDM5AKDM5BPARP1KDM5CKIF11
SCHEMBL13708891 0.71 PARP1 (0.55) KDM5AKDM5BPARP1CSNK2A1KDM5C
SCHEMBL25430812 0.70 KDM5A (0.57) KDM5AKDM5BPARP1CSNK2A1KDM5C
SCHEMBL13818061 0.70 KDM5A (0.72) KDM5AKDM5BPARP1KDM5CPADI4
SCHEMBL13708855 0.70 PARP1 (0.54) KDM5AKDM5BPARP1CSNK2A1KDM4E
SCHEMBL31139842 0.70 KDM5A (0.57) KDM5AKDM5BPARP1CSNK2A1KDM5C
SCHEMBL31423272 0.69 MEN1 (0.39) PARP1KDM4ETDP1
SCHEMBL31146052 0.68 PARP1 (0.42) KDM5APARP1CSNK2A1KIF11KDM4C
SCHEMBL30744743 0.68 PARP1 (0.52) KDM5AKDM5BPARP1CSNK2A1KDM5C

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 KDM5A 2386/4885KDM5B 1244/4885PARP1 1100/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5A 2386/4885KDM5B 1244/4885PARP1 1100/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM5A 2656/4885KDM5B 903/4885PARP1 1472/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM5A 2386/4885KDM5B 1244/4885PARP1 1100/4885

“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.