SCHEMBL1220779

SCHEMBL1220779

CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(NC4CCOCC4)c3)c2C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.60
HSP90AA1 P07900 16/20 0.60
HSP90B1 P14625 4/20 0.60
TRAP1 Q12931 4/20 0.60
OPRM1 P35372 1/20 0.45
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL27196733 0.91 HSP90AB1 (0.61) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL4370532 0.90 HSP90AB1 (0.60) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL30839279 0.90 HSP90AB1 (0.74) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL13740696 0.90 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL3631667 0.90 HSP90AB1 (0.65) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL1218730 0.88 HSP90AB1 (0.61) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3633252 0.87 HSP90AB1 (0.59) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL13740369 0.87 HSP90AB1 (0.57) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL13740368 0.87 HSP90AB1 (0.57) HSP90AB1HSP90AA1HSP90B1TRAP1OPRM1
SCHEMBL1219818 0.85 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 21 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 disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS HALL STEVEN E (US) 2015-11-19 US disclosed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US disclosed
EP-1856057-B1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX INC (US) 2014-10-15 EP disclosed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US disclosed
US-8309548-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2012-11-13 US disclosed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP disclosed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US disclosed
US-7928135-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-04-19 US disclosed
US-7906529-B2 Benzene, pyridine, and pyridazine derivatives SERENEX, INC. (US) 2011-03-15 US disclosed
US-20110034529-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-02-10 US disclosed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
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 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 (10 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-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS LTB4R, LTB4R2, PTGER4 HSP90AB1 3629/4885HSP90AA1 3559/4885HSP90B1 3715/4885
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AB1 3419/4885HSP90AA1 3912/4885HSP90B1 3576/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 HSP90AB1 2/4885HSP90AA1 1/4885HSP90B1 9/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AB1 3419/4885HSP90AA1 3912/4885HSP90B1 3576/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 HSP90AB1 2/4885HSP90AA1 1/4885HSP90B1 9/4885
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-20110034529-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.