SCHEMBL807272

SCHEMBL807272

CC(C)c1c(F)cc(C#N)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.36
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GRM5 P41594 3/20 0.33
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
TRPA1 O75762 2/20 0.32
AR P10275 2/20 0.32
VCAM1 P19320 1/20 0.32
ACLY P53396 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31

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
SCHEMBL12263154 0.88 TTR (0.37) METALDH1A1GRM5TTRALB
SCHEMBL807269 0.86 TTR (0.38) METALDH1A1GRM5TTRALB
SCHEMBL26080843 0.81 EGLN2 (0.37) ALDH1A1GRM5TTRALBGAA
SCHEMBL807520 0.81 TRPV4 (0.34) TTRALBVCAM1GAASMN1; SMN2
SCHEMBL10120483 0.80 KCNJ6 (0.40) METKCNJ6KCNJ5KCNJ3ALDH1A1
SCHEMBL18612531 0.79 TRPV4 (0.31) TTRALBGAASMN1; SMN2
SCHEMBL807523 0.78 TRPV4 (0.34) ALDH1A1TTRALBARVCAM1
SCHEMBL18552870 0.78 AR (0.39) KCNJ6KCNJ5KCNJ3ALDH1A1TTR
SCHEMBL24418462 0.77 AR (0.36) METALDH1A1AR
SCHEMBL27847325 0.76 TTR (0.34) METTTRALBGAASMN1; SMN2

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-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
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012066061-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-24 WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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 (6 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 MET 4742/4885KCNJ6 2109/4885KCNJ5 1593/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 MET 4742/4885KCNJ6 2109/4885KCNJ5 1593/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B MET 4063/4885KCNJ6 1838/4885KCNJ5 1467/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R MET 3813/4885KCNJ6 4604/4885KCNJ5 4188/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R MET 846/4885KCNJ6 1422/4885KCNJ5 985/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 MET 4742/4885KCNJ6 2109/4885KCNJ5 1593/4885

“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.