SCHEMBL1669937

SCHEMBL1669937

C#Cc1cc2c(cc1Sc1nc3c(N)ncnc3n1CCC1CCCN(S(C)(=O)=O)C1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.55
HSP90AB1 P08238 20/20 0.55

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
SCHEMBL1670953 0.90 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL1672647 0.90 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL1670456 0.89 HSP90AB1 (0.57) HSP90AA1HSP90AB1
SCHEMBL1669445 0.89 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL18203503 0.89 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL11904513 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL18203425 0.86 HSP90AB1 (0.53) HSP90AA1HSP90AB1
SCHEMBL20853471 0.85 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL1670368 0.83 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL20547934 0.83 HSP90AB1 (0.58) HSP90AA1HSP90AB1

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
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-3091019-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-04-03 EP disclosed
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-01-08 US disclosed
EP-3091019-A2 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2016-11-09 EP disclosed
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-10-27 US disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-20120208806-A1 Hsp90 Inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-08-16 US 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 (5 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-10172863-B2 Purine derivatives useful as HSP90 inhibitors XDH, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 4/4885
US-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885
US-20210161902-A1 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885
US-20200069592-A1 HSP90 INHIBITOR ORAL FORMULATIONS AND RELATED METHODS HSP90AB1, HSP90B1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 1/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 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.