SCHEMBL1747367

SCHEMBL1747367

Cc1cn(-c2ccc(C(N)=O)c(NC3CCOCC3)c2)c2c1C(=O)CCCC2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.62
HSP90AB1 P08238 16/20 0.62
HSP90B1 P14625 6/20 0.49
TRAP1 Q12931 5/20 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
SCHEMBL1218933 0.91 HSP90AA1 (0.69) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL19112807 0.90 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1220121 0.88 HSP90AA1 (0.76) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1220123 0.88 HSP90AA1 (0.76) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1220286 0.86 HSP90AA1 (0.82) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3631955 0.81 HSP90AA1 (0.77) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3661493 0.81 HSP90AA1 (0.77) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3631686 0.80 HSP90AA1 (0.86) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1219824 0.79 HSP90AA1 (0.93) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1219668 0.79 HSP90AA1 (0.85) HSP90AA1HSP90AB1HSP90B1TRAP1

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 15 patents. 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
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US 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
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 claimed
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 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
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-05-26 US disclosed
EP-1856057-B1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX INC (US) 2014-10-15 EP disclosed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP disclosed
US-20110252835-A1 HEAT PUMP (SERVER) COUPLED WASHER AND DRYER PAIR WHIRLPOOL CORPORATION (US) 2011-10-20 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 (9 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 HSP90AA1 3912/4885HSP90AB1 3419/4885HSP90B1 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 HSP90AA1 1/4885HSP90AB1 2/4885HSP90B1 9/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885HSP90B1 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 HSP90AA1 1/4885HSP90AB1 2/4885HSP90B1 9/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885HSP90B1 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 HSP90AA1 4/4885HSP90AB1 3/4885HSP90B1 23/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885HSP90B1 3576/4885
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) HSP90AB1, HSP90B1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 1/4885HSP90B1 2/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSP90AA1 3912/4885HSP90AB1 3419/4885HSP90B1 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.