Isoquinoline

Isoquinoline

SCHEMBL972906

CCCO.c1ccc2cnccc2c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MELK Q14680 1/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
IMPDH2 P12268 3/20 0.38
ROCK2 O75116 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
NOTUM Q6P988 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Isoquinoline SCHEMBL11573107 0.92 TNF (0.44) TNFKDM4EMAPKAPK2MELKLMNA
Isoquinoline SCHEMBL28848949 0.90 TNF (0.46) TNFKDM4EMAPKAPK2MELKLMNA
Isoquinoline SCHEMBL9809197 0.90 TNF (0.41) TNFKDM4EMAPKAPK2MELKLMNA
Isoquinoline SCHEMBL11791709 0.89 TDP1 (0.42) TNFMELKLMNAALDH1A1HTT
Isoquinoline SCHEMBL27997841 0.85 KDM4E (0.48) TNFKDM4EMAPKAPK2MELKLMNA
Naphthalene SCHEMBL7327012 0.82 TNF (0.48) TNFKDM4EMAPKAPK2LMNAHTT
Isoquinoline SCHEMBL1536317 0.82 TNF (0.48) TNFKDM4EMAPKAPK2LMNAHTT
Isoquinoline SCHEMBL31588723 0.82 TNF (0.48) TNFKDM4EMAPKAPK2LMNAHTT
Isoquinoline SCHEMBL29355164 0.82 TNF (0.48) TNFKDM4EMAPKAPK2LMNAHTT
Isoquinoline SCHEMBL9654 0.82 TNF (0.48) TNFKDM4EMAPKAPK2LMNAHTT

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-18 US disclosed
US-10239829-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP disclosed
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
EP-1504014-B1 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2015-12-02 EP disclosed
US-9169201-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2015-10-27 US disclosed
EP-2223927-B1 Salts of a phosphonic acid based prodrug of PMEA METABASIS THERAPEUTICS INC (US) 2014-10-15 EP disclosed
US-6110903-A INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE SANKYO COMPANY LTD. (JP) 2000-08-29 US disclosed
US-6054587-A ANTIDIABETIC AGENTS METABASIS THERAPEUTICS, INC. (US) 2000-04-25 US disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
EP-0970095-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2000-01-12 EP disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039343-A9 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039343-A1 NOVEL BENZIMIDAZOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed
WO-1998039342-A1 NOVEL INDOLE AND AZAINDOLE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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 (5 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 TNF 959/4885KDM4E 4398/4885MAPKAPK2 1215/4885
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 TNF 946/4885KDM4E 4412/4885MAPKAPK2 1195/4885
US-10239829-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 TNF 870/4885KDM4E 4337/4885MAPKAPK2 1223/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 TNF 959/4885KDM4E 4398/4885MAPKAPK2 1215/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 TNF 851/4885KDM4E 4338/4885MAPKAPK2 1268/4885

“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.