SCHEMBL1568575

SCHEMBL1568575

O=C(Nc1ccc2cnccc2c1)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.68
▸ ROCK2 O75116 8/20 0.60
▸ ROCK1 Q13464 2/20 0.60
▸ PRMT3 O60678 1/20 0.57
▸ NOTUM Q6P988 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL1568741 0.96 IMPDH2 (0.63) IMPDH2ROCK2ROCK1PRMT3NOTUM
SCHEMBL30209208 0.88 IMPDH2 (0.54) IMPDH2ROCK2ROCK1PRMT3NOTUM
SCHEMBL30209215 0.88 IMPDH2 (0.54) IMPDH2ROCK2ROCK1PRMT3NOTUM
SCHEMBL14124392 0.86 ROCK2 (0.61) IMPDH2ROCK2PRMT3NOTUMALDH1A1
SCHEMBL6630095 0.86 IMPDH2 (0.64) IMPDH2ROCK2ROCK1PRMT3ALDH1A1
SCHEMBL20353458 0.86 NOTUM (0.71) IMPDH2ROCK2ROCK1PRMT3NOTUM
SCHEMBL20353459 0.86 ROCK2 (0.57) IMPDH2ROCK2ROCK1PRMT3NOTUM
SCHEMBL24969695 0.84 ALDH1A1 (0.63) KDM4EALDH1A1MAPT
SCHEMBL30206829 0.84 ALDH1A1 (0.63) KDM4EALDH1A1MAPT
SCHEMBL12058848 0.82 POLB (0.65) IMPDH2ROCK2ROCK1PRMT3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 — — EP disclosed
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 — — EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 — — EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 — — EP disclosed
CN-109956900-B Compounds and pharmaceutical compositions comprising the same 财团法人工业技术研究院 2023-02-03 — — CN disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 — — US disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 — — US disclosed
CN-107108593-B Substituted oxazole and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II 美迪福伦DBT有限公司 2020-03-24 — — CN disclosed
US-10472327-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2019-11-12 — — US disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 — — EP disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 — — US disclosed
EP-3224252-B1 SUBSTITUTED OXAZOLE- AND THIAZOLE-BASED CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS II MEDIFRON DBT INC (KR) 2019-01-09 — — EP disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 — — US disclosed
US-9771359-B1 Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II MEDIFRON DBT INC. (KR) 2017-09-26 — — US disclosed
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II MEDIFRON DBT INC. (KR) 2017-09-07 — — US disclosed
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 — — EP disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 — — US disclosed
EP-2307387-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 — — WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 — — 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 (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-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRK4, NCOA4, GRK3 IMPDH2 3237/4885ROCK2 1808/4885ROCK1 2416/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK IMPDH2 2131/4885ROCK2 246/4885ROCK1 375/4885
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same GRK4, NCOA4, GRK3 IMPDH2 3237/4885ROCK2 1808/4885ROCK1 2416/4885
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II TRPV1, TRPV2, GPR17 IMPDH2 2666/4885ROCK2 4662/4885ROCK1 4851/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 IMPDH2 4323/4885ROCK2 1735/4885ROCK1 1147/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK IMPDH2 2131/4885ROCK2 246/4885ROCK1 375/4885

“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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