SCHEMBL1220501

SCHEMBL1220501

Cc1nn(-c2ccc(C(N)=O)c(NC3CCOCC3)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 19/20 1.00
HSP90AA1 P07900 18/20 1.00
HSP90B1 P14625 4/20 0.65
TRAP1 Q12931 4/20 0.65
OPRM1 P35372 1/20 0.51

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
SCHEMBL5004732 0.95 HSP90AA1 (0.90) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL3634060 0.95 HSP90AA1 (0.90) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL5005048 0.95 HSP90AA1 (0.90) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL1220650 0.94 HSP90AA1 (0.93) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL1220500 0.92 HSP90AA1 (0.87) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL3631683 0.92 HSP90AA1 (0.87) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL3631362 0.91 HSP90AA1 (0.84) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL3631693 0.91 HSP90AA1 (0.85) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL3632950 0.91 HSP90AA1 (0.85) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL1220778 0.90 HSP90AB1 (0.84) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US claimed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US claimed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP claimed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US claimed
EP-1856057-B1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX INC (US) 2014-10-15 EP claimed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US claimed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP claimed
US-20110252835-A1 HEAT PUMP (SERVER) COUPLED WASHER AND DRYER PAIR WHIRLPOOL CORPORATION (US) 2011-10-20 US claimed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US claimed
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide ESANEX, INC. 2006-09-21 US claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP disclosed
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide ESANEX, INC. 2006-09-21 US disclosed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 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 (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-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AB1 3419/4885HSP90AA1 3912/4885HSP90B1 3576/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AB1 3419/4885HSP90AA1 3912/4885HSP90B1 3576/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AB1 3419/4885HSP90AA1 3912/4885HSP90B1 3576/4885
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide HSF1, HSPA4, HSP90AB1 HSP90AB1 3/4885HSP90AA1 4/4885HSP90B1 23/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AB1 3419/4885HSP90AA1 3912/4885HSP90B1 3576/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AB1 3419/4885HSP90AA1 3912/4885HSP90B1 3576/4885

“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.