SCHEMBL22016780

SCHEMBL22016780

Cc1c(C(F)(F)F)cn(C)c(=O)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM5B Q9UGL1 1/20 0.30
BRD4 O60885 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
SCHEMBL24312173 0.83
SCHEMBL22016887 0.78 LMNA (0.35) LMNAADORA3KDM5BBRD4
SCHEMBL21955061 0.76 BRD4 (0.32) BRD4
SCHEMBL21479583 0.76 HSD11B1 (0.31)
SCHEMBL22016874 0.75 KDM5B (0.34) KDM5BBRD4
SCHEMBL22016201 0.75
SCHEMBL26815264 0.73 LMNA (0.34) LMNAADORA3KDM5BBRD4
SCHEMBL25693688 0.71 HTR2A (0.36) BRD4
SCHEMBL14803746 0.70 ITGB1 (0.36) LMNAADORA3KDM5B
SCHEMBL21479561 0.70 HSD11B1 (0.34)

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 9 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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (9 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 LMNA 2479/4885ADORA3 2207/4885KDM5B 1876/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 LMNA 3437/4885ADORA3 1683/4885KDM5B 1382/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LMNA 2900/4885ADORA3 1752/4885KDM5B 1244/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 LMNA 2479/4885ADORA3 2207/4885KDM5B 1876/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LMNA 2900/4885ADORA3 1752/4885KDM5B 1244/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 LMNA 2479/4885ADORA3 2207/4885KDM5B 1876/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B LMNA 2991/4885ADORA3 1388/4885KDM5B 903/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 LMNA 2479/4885ADORA3 2207/4885KDM5B 1876/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 LMNA 2900/4885ADORA3 1752/4885KDM5B 1244/4885

“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.