SCHEMBL22016865

SCHEMBL22016865

Cc1cc(C(F)(F)F)c(C(C)C)nc1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TRPA1 O75762 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
SCHEMBL13362540 0.74 NOS3 (0.31)
SCHEMBL21956967 0.72 AR (0.35) SORT1LRRK2
SCHEMBL21956733 0.72 CFTR (0.45) SORT1HPGDHSD17B10
SCHEMBL31027305 0.72 CFTR (0.45) SORT1HPGDHSD17B10
SCHEMBL31018120 0.72 AR (0.35) SORT1LRRK2
SCHEMBL24928213 0.72 CYP1A2 (0.32) CYP2C19CYP1A2
SCHEMBL12316308 0.71 LMNA (0.33) TRPA1
SCHEMBL22017363 0.71 HPGD (0.34) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL24312083 0.71 ALDH1A1 (0.38) SORT1HPGDHSD17B10LRRK2
SCHEMBL23942638 0.71 SORT1 (0.33) SORT1HPGDHSD17B10TRPA1

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 8 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-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 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 (8 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 SORT1 1623/4885CYP3A4 2052/4885CYP2D6 4014/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 SORT1 1256/4885CYP3A4 1745/4885CYP2D6 3490/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 SORT1 3767/4885CYP3A4 366/4885CYP2D6 251/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 SORT1 3767/4885CYP3A4 366/4885CYP2D6 251/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B SORT1 2649/4885CYP3A4 1019/4885CYP2D6 2941/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR SORT1 4014/4885CYP3A4 48/4885CYP2D6 63/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 SORT1 3767/4885CYP3A4 366/4885CYP2D6 251/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR SORT1 4014/4885CYP3A4 48/4885CYP2D6 63/4885

“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.