SCHEMBL17040765

SCHEMBL17040765

Cc1c(C(C)NC(=O)OC(C)(C)C)ccc(Br)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL17040888 1.00 AAK1 (0.40) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL17041209 1.00 AAK1 (0.40) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL18862507 0.88 AAK1 (0.40) AAK1KMT2AMEN1TSHRHSD17B10
SCHEMBL26050870 0.86 AAK1 (0.39) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL30541841 0.86 AAK1 (0.39) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL26051971 0.85 AAK1 (0.39) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL18854490 0.85 AAK1 (0.41) AAK1KMT2AMEN1CTSSCTSK
SCHEMBL30541840 0.85 AAK1 (0.39) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL30541845 0.84 AAK1 (0.40) AAK1KMT2ATRPA1MEN1TSHR
SCHEMBL26051715 0.84 AAK1 (0.40) AAK1KMT2ATRPA1MEN1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107900-B1 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SERVIER LAB (FR) 2017-11-15 — — EP disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 — — US disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 — — US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 — — US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 — — US disclosed
WO-2015124877-A1 DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES LES LABORATOIRES SERVIER (FR) 2015-08-27 — — WO 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 (1 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-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 AAK1 2041/4885KMT2A 3722/4885TRPA1 4755/4885

“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.

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