SCHEMBL1669828

SCHEMBL1669828

CC(C)NCCCn1c(Sc2cc3c(cc2I)OCCO3)nc2c(N)ncnc21

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.90
HSP90AB1 P08238 7/20 0.90
HSP90B1 P14625 5/20 0.90
ERBB2 P04626 5/20 0.90
TRAP1 Q12931 5/20 0.90
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL17771168 0.97 HSP90AA1 (0.86) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
Pu-H71 SCHEMBL29414148 0.95 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
Pu-H71 SCHEMBL1857579 0.95 HSP90AA1 (1.00) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL15624878 0.92 HSP90AA1 (0.95) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL11909860 0.92 HSP90AA1 (0.79) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL17449248 0.92 HSP90AA1 (0.79) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL1669649 0.92 HSP90AA1 (0.79) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL18203277 0.91 HSP90AA1 (0.78) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL18169514 0.91 HSP90AA1 (0.78) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1
SCHEMBL1671215 0.91 HSP90AA1 (0.75) HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1

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 27 patents — showing the first 20. 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-20210308285-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-10-07 US disclosed
US-11065350-B2 HSP90-targeted inflammation and infection imaging and therapy MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-07-20 US disclosed
US-20210161902-A1 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF SAMUS THERAPEUTICS, INC. (US) 2021-06-03 US disclosed
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2021-05-13 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-3709022-A1 USES OF LABELED HSP90 INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2020-09-16 EP disclosed
US-20200237934-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY MEMORIAL SLOAN KETTERING CANCER CENTER 2020-07-30 US disclosed
US-10617772-B2 Hsp9O-targeted inflammation and infection imaging and therapy MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-04-14 US 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
EP-2729806-B1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-22 EP disclosed
US-9555137-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-01-31 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
EP-2486039-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER (US) 2016-06-01 EP disclosed
US-9328114-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-03 US disclosed
US-20160015837-A1 HSP90-TARGETED CARDIAC IMAGING AND THERAPY MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-01-21 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 (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-20160015837-A1 HSP90-TARGETED CARDIAC IMAGING AND THERAPY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HSP90B1 3/4885
US-20120208806-A1 Hsp90 Inhibitors HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885HSP90B1 1/4885
US-11065350-B2 HSP90-targeted inflammation and infection imaging and therapy HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HSP90B1 3/4885
US-20200237934-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HSP90B1 3/4885
US-20210161902-A1 EPICHAPEROME INHIBITOR THERAPY FOR TRAUMATIC BRAIN INJURY AND SEQUELAE THEREOF HSP90B1, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885HSP90B1 1/4885
US-20160310497-A1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS XDH, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 4/4885HSP90B1 2/4885
US-10617772-B2 Hsp9O-targeted inflammation and infection imaging and therapy HSPA9, HSP90AB1, S100A9 HSP90AA1 5/4885HSP90AB1 2/4885HSP90B1 13/4885
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885HSP90B1 2/4885
US-20210308285-A1 HSP90-TARGETED INFLAMMATION AND INFECTION IMAGING AND THERAPY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885HSP90B1 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.