Sugi Predict

Sugi Predict / Compounds / SCHEMBL3563285

SCHEMBL3563285

SCHEMBL3563285

O=C1Cc2cc([N+](=O)[O-])ccc2C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 16/20 1.00
▸ CYP3A4 P08684 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ CASP3 P42574 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ MAP3K14 Q99558 1/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ PGR P06401 1/20 0.49

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
SCHEMBL1122774 0.90 TDP2 (0.82) TDP2CYP3A4TDP1MEN1KMT2A
SCHEMBL2616914 0.85 TDP2 (0.73) TDP2CYP3A4TDP1MEN1LMNA
SCHEMBL18010836 0.84 TDP2 (1.00) TDP2PGR
SCHEMBL19695885 0.84 TDP2 (0.73) TDP2CYP3A4TDP1MEN1LMNA
SCHEMBL18010844 0.80 TDP2 (1.00) TDP2TDP1MEN1KMT2ACASP3
SCHEMBL19954 0.80 PGR (0.71) TDP2CYP3A4TDP1MEN1LMNA
SCHEMBL2993057 0.80 TDP2 (0.67) TDP2CYP3A4TDP1MEN1LMNA
SCHEMBL18010848 0.79 TDP2 (1.00) TDP2PGR
SCHEMBL30049268 0.79 TLR9 (0.79) TDP2CYP3A4TDP1MEN1LMNA
SCHEMBL987760 0.79 TLR9 (0.79) TDP2CYP3A4TDP1MEN1LMNA

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-3562806-A1 METHODS FOR THE PREPARATION OF 6-AMINOISOQUINOLINE Aerie Pharmaceuticals, Inc. (US) 2019-11-06 — — EP claimed
WO-2018125548-A1 METHODS FOR THE PREPARATION OF 6-AMINOISOQUINOLINE AERIE PHARMACEUTICALS, INC. (US) 2018-07-05 — — WO claimed
US-9840468-B1 Methods for the preparation of 6-aminoisoquinoline AERIE PHARMACEUTICALS, INC. (US) 2017-12-12 — — US claimed
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2022-12-08 — — US disclosed
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2022-12-08 — — US disclosed
EP-3999498-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2022-05-25 — — EP disclosed
CN-114401955-A Inhibitors of cyclin dependent kinases 金耐特生物制药公司 2022-04-26 — — CN disclosed
WO-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 — — WO disclosed
WO-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 — — WO disclosed
EP-3562806-A1 METHODS FOR THE PREPARATION OF 6-AMINOISOQUINOLINE Aerie Pharmaceuticals, Inc. (US) 2019-11-06 — — EP disclosed
WO-2018125548-A1 METHODS FOR THE PREPARATION OF 6-AMINOISOQUINOLINE AERIE PHARMACEUTICALS, INC. (US) 2018-07-05 — — WO disclosed
US-9840468-B1 Methods for the preparation of 6-aminoisoquinoline AERIE PHARMACEUTICALS, INC. (US) 2017-12-12 — — US disclosed
CN-105017152-B Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline 北京六合宁远科技有限公司 2017-05-10 — — CN disclosed
US-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-08-25 — — US disclosed
CN-105017152-A Preparation method of 3-chloro(bromo)-6-nitroisoquinoline BEIJING LIUHE NINGYUAN TECHNOLOGY CO LTD 2015-11-04 — — CN disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 — — 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 (3 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 TDP2 511/4885CYP3A4 375/4885TDP1 289/4885
US-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 TDP2 1415/4885CYP3A4 3582/4885TDP1 1342/4885
US-20160243149-A1 NOVEL ANTI-VIRAL THERAPEUTIC RNASEH1, DNASE1L3, DNASE1 TDP2 660/4885CYP3A4 4368/4885TDP1 571/4885

“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.