SCHEMBL22017182

SCHEMBL22017182

O=c1[nH]c2cnccc2c(C(F)(F)F)c1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
KIF11 P52732 1/20 0.47
KDM5A P29375 10/20 0.46
CHUK O15111 3/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 2/20 0.43
KDM5C P41229 1/20 0.43
KDM4E B2RXH2 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
IKBKB O14920 1/20 0.40
AURKA O14965 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PIM1 P11309 1/20 0.40
TOP1 P11387 1/20 0.40
GABRA1 P14867 1/20 0.40
IDO1 P14902 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL22017185 0.78 KDM5A (0.50) PARP1KIF11KDM5ACHUKKDM4C
SCHEMBL21956760 0.74 KDM5A (0.52) PARP1KIF11KDM5ACHUKKDM4C
SCHEMBL30457842 0.70 PARP1 (0.50) PARP1KIF11KDM5ACHUKKDM4C
SCHEMBL29484414 0.70 PARP1 (0.79) PARP1KDM5ACHUKKDM5BKDM5C
SCHEMBL10134605 0.70 PARP1 (0.79) PARP1KDM5ACHUKKDM5BKDM5C
SCHEMBL19047347 0.68 PARP1 (0.47) PARP1KDM5ACHUKKDM5BKDM5C
SCHEMBL22017183 0.68 AAK1 (0.37) KDM5AKDM4CGABRA5
SCHEMBL12750475 0.67 PARP1 (1.00) PARP1KDM5ACHUKKDM4CKDM5B
SCHEMBL2465165 0.66 CHUK (0.50) PARP1KIF11KDM5ACHUKKDM4E
SCHEMBL4769832 0.66 PARP1 (0.62) PARP1KDM5ACHUKKDM4CKDM5B

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 PARP1 1100/4885KIF11 1911/4885KDM5A 2386/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PARP1 1100/4885KIF11 1911/4885KDM5A 2386/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B PARP1 1472/4885KIF11 2994/4885KDM5A 2656/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 PARP1 1100/4885KIF11 1911/4885KDM5A 2386/4885

“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.