SCHEMBL3630588

SCHEMBL3630588

Cc1cn(-c2cc(F)c(C(N)=O)c(NC3CCCC3)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.80
HSP90AB1 P08238 19/20 0.80
HSP90B1 P14625 5/20 0.80
TRAP1 Q12931 4/20 0.80

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
SCHEMBL3625777 0.94 HSP90AA1 (0.79) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3625779 0.94 HSP90AA1 (0.79) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL20878997 0.93 HSP90AB1 (0.70) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3625948 0.92 HSP90AA1 (0.77) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3632641 0.92 HSP90AA1 (0.91) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL20878861 0.92 HSP90AA1 (0.68) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL5004645 0.90 HSP90AB1 (0.70) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3631790 0.90 HSP90AB1 (0.70) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3632541 0.89 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL2683159 0.89 HSP90AA1 (1.00) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP claimed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO claimed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US claimed
US-9956293-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20170136085-A1 TARGETED THERAPEUTICS TVA (ABC), LLC 2017-05-18 US disclosed
US-20170128580-A1 TARGETED THERAPEUTICS TARVEDA THERAPEUTICS, INC. 2017-05-11 US disclosed
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 US disclosed
US-20170056511-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2017-03-02 US disclosed
US-20170056510-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2017-03-02 US disclosed
US-20170049899-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2017-02-23 US disclosed
US-20170014519-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
US-9533002-B2 Methods of treating a metabolic syndrome by modulating heat shock protein (HSP) 90-β BERG LLC (US) 2017-01-03 US disclosed
US-20160375142-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2016-12-29 US 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
US-20150253330-A1 PRE-SELECTION OF SUBJECTS FOR THERAPEUTIC TREATMENT WITH AN HSP90 INHIBITOR BASED ON HYPOXIC STATUS SYNTA PHARMACEUTICALS CORP. (US) 2015-09-10 US disclosed
US-20140154266-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA BERG PHARMA LLC (US) 2014-06-05 US disclosed
US-20140079636-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. 2014-03-20 US disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 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 (11 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-20170128580-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 3/4885
US-20160375142-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 3/4885
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 HSP90AA1 4/4885HSP90AB1 2/4885HSP90B1 13/4885
US-20170136085-A1 TARGETED THERAPEUTICS HSP90B1, HSP90AB1, CDC37 HSP90AA1 4/4885HSP90AB1 2/4885HSP90B1 1/4885
US-20170049899-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 3/4885
US-20170014519-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 3/4885
US-20170056511-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 3/4885
US-20170056510-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 3/4885
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-20140154266-A1 METHODS OF TREATING A METABOLIC SYNDROME BY MODULATING HEAT SHOCK PROTEIN (HSP) 90-BETA HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HSP90B1 6/4885
US-20140079636-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 3/4885

“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.