SCHEMBL22017134

SCHEMBL22017134

CC(C)c1c(C(F)(F)F)c2cc(F)ccc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 2/20 0.36
NR1H3 Q13133 1/20 0.36
AR P10275 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SRC P12931 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GRM4 Q14833 1/20 0.34
HSP90AA1 P07900 1/20 0.33
PIK3CD O00329 1/20 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
SCHEMBL22017359 0.87 KDM4E (0.36) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL26815145 0.83 AR (0.39) KDM4EALDH1A1PGRNR1H3AR
SCHEMBL22016170 0.81 KIF11 (0.42) ATMKDM4EALDH1A1MEN1KMT2A
SCHEMBL22016488 0.81 ATM (0.41) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL21977663 0.80 ATM (0.40) ATMKDM4EALDH1A1MEN1HCRTR1
SCHEMBL26817271 0.76 HRH3 (0.40)
SCHEMBL26817280 0.75 MCHR1 (0.40) ALDH1A1
SCHEMBL26817066 0.75 ALDH1A1 (0.46) KDM4EALDH1A1PGRARHPGD
SCHEMBL26817286 0.74 HTR1A (0.37) SMN1; SMN2
SCHEMBL22016182 0.72 ATM (0.48) ATMKDM4EALDH1A1MEN1KMT2A

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 7 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (7 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 ATM 3786/4885KDM4E 1442/4885ALDH1A1 823/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ATM 4085/4885KDM4E 1209/4885ALDH1A1 791/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATM 2237/4885KDM4E 2522/4885ALDH1A1 476/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATM 2237/4885KDM4E 2522/4885ALDH1A1 476/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ATM 3576/4885KDM4E 1390/4885ALDH1A1 838/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ATM 3786/4885KDM4E 1442/4885ALDH1A1 823/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ATM 2237/4885KDM4E 2522/4885ALDH1A1 476/4885

“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.