SCHEMBL1669481

SCHEMBL1669481

CN1CCCC(CCn2c(Sc3cc4c(cc3I)CCC4)nc3c(N)ncnc32)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 20/20 0.60
HSP90AA1 P07900 19/20 0.60
ERBB2 P04626 1/20 0.48
HSP90B1 P14625 1/20 0.48
TRAP1 Q12931 1/20 0.48

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
SCHEMBL1670456 0.90 HSP90AB1 (0.57) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL20547934 0.90 HSP90AB1 (0.58) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL1670277 0.90 HSP90AB1 (0.58) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL1672647 0.88 HSP90AA1 (0.58) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL3531111 0.85 HSP90AA1 (0.82) HSP90AB1HSP90AA1
SCHEMBL1670287 0.85 HSP90AB1 (0.56) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL17771187 0.84 ERBB2 (0.55) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL11904849 0.83 HSP90AB1 (0.54) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL12988626 0.83 HSP90AB1 (0.55) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1
SCHEMBL11909625 0.82 HSP90AB1 (0.55) HSP90AB1HSP90AA1ERBB2HSP90B1TRAP1

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
EP-3091019-A2 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2016-11-09 EP 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-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
WO-2018237211-A2 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF SAMUS THERAPEUTICS, INC. (US) 2018-12-27 WO 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 HSP90AB1 4/4885HSP90AA1 3/4885ERBB2 4122/4885
US-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ERBB2 2315/4885
US-20210161902-A1 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885ERBB2 2451/4885
US-20200069592-A1 HSP90 INHIBITOR ORAL FORMULATIONS AND RELATED METHODS HSP90AB1, HSP90B1, HSP90AB2P HSP90AB1 1/4885HSP90AA1 4/4885ERBB2 2545/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 HSP90AB1 4/4885HSP90AA1 3/4885ERBB2 4122/4885

“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.