SCHEMBL1669512

SCHEMBL1669512

C#Cc1cc2c(cc1Sc1nc3c(N)ncnc3n1CCCCCS(N)(=O)=O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 15/20 0.49
HSP90AB1 P08238 10/20 0.49
HSP90AA1 P07900 10/20 0.49
TRAP1 Q12931 7/20 0.49
ERBB2 P04626 2/20 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
SCHEMBL11909695 0.88 HSP90AB1 (0.51) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL1669728 0.87 HSP90AB1 (0.52) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL11908001 0.87 HSP90B1 (0.52) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL11908268 0.86 HSP90B1 (0.54) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL1669444 0.86 HSP90AB1 (0.62) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL1669968 0.86 HSP90AB1 (0.56) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL18203259 0.85 HSP90AB1 (0.52) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL15609260 0.85 HSP90B1 (0.47) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL17771186 0.84 HSP90AB1 (0.51) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2
SCHEMBL12988246 0.84 HSP90AB1 (0.54) HSP90B1HSP90AB1HSP90AA1TRAP1ERBB2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091019-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-04-03 EP claimed
EP-3091019-A2 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2016-11-09 EP claimed
EP-2486039-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2012-08-15 EP claimed
WO-2011044394-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-04-14 WO claimed
US-20210161902-A1 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF SAMUS THERAPEUTICS, INC. (US) 2021-06-03 US disclosed
CN-111683658-A Multi-protein complex inhibitor therapy for traumatic brain injury and sequelae thereof 萨缪斯治疗股份有限公司 2020-09-18 CN disclosed
EP-3641751-A2 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF Samus Therapeutics, Inc. (US) 2020-04-29 EP disclosed
CN-110996918-A Oral formulations of HSP90 inhibitors and related methods 萨缪斯治疗股份有限公司 2020-04-10 CN disclosed
US-20200069592-A1 HSP90 INHIBITOR ORAL FORMULATIONS AND RELATED METHODS SAMUS THERAPEUTICS, INC. (US) 2020-03-05 US disclosed
EP-3615008-A1 HSP90 INHIBITOR ORAL FORMULATIONS AND RELATED METHODS Samus Therapeutics, Inc. (US) 2020-03-04 EP disclosed
EP-3091019-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-04-03 EP disclosed
WO-2018237211-A2 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF SAMUS THERAPEUTICS, INC. (US) 2018-12-27 WO disclosed
WO-2018200534-A1 HSP90 INHIBITOR ORAL FORMULATIONS AND RELATED METHODS SAMUS THERAPEUTICS, INC. (US) 2018-11-01 WO disclosed
EP-3091019-A2 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2016-11-09 EP disclosed
EP-2486039-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2012-08-15 EP disclosed
WO-2011044394-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-04-14 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 (2 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-20210161902-A1 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF HSP90B1, HSP90AB1, HSP90AB2P HSP90B1 1/4885HSP90AB1 2/4885HSP90AA1 4/4885
US-20200069592-A1 HSP90 INHIBITOR ORAL FORMULATIONS AND RELATED METHODS HSP90AB1, HSP90B1, HSP90AB2P HSP90B1 2/4885HSP90AB1 1/4885HSP90AA1 4/4885

“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.