SCHEMBL16487307

SCHEMBL16487307

CC(C)C#Cc1cc(Cl)cc(Sc2nc3c(N)ncnc3n2CCCNC(C)C)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 17/20 0.82
HSP90AA1 P07900 8/20 0.82
TRAP1 Q12931 6/20 0.82
HSP90AB1 P08238 5/20 0.82
ERBB2 P04626 3/20 0.54

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
SCHEMBL16486764 0.94 HSP90B1 (0.78) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL16487435 0.93 HSP90B1 (0.82) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL16487089 0.91 HSP90B1 (0.78) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL16486615 0.91 HSP90B1 (0.78) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL16487446 0.91 HSP90B1 (0.83) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL29358958 0.90 HSP90B1 (1.00) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL16487210 0.90 HSP90B1 (1.00) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL16486752 0.90 HSP90B1 (0.75) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL21385683 0.87 HSP90B1 (0.89) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2
SCHEMBL24145026 0.86 HSP90B1 (0.88) HSP90B1HSP90AA1TRAP1HSP90AB1ERBB2

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
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 US disclosed
WO-2021263194-A1 INHIBITION OF N-GLYCOSYLATED GRP94 MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-12-30 WO disclosed
CN-105899503-B Selective GRP94 inhibitors and uses thereof 纪念斯隆-凯特琳癌症中心 2020-08-18 CN disclosed
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2020-04-02 US disclosed
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2020-04-02 US disclosed
US-10421758-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-09-24 US disclosed
US-10421758-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-09-24 US disclosed
US-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-07-07 US disclosed
US-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-07-07 US disclosed
US-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-07-07 US disclosed
EP-3033338-A2 SELECTIVE GRP94 INHIBITORS AND USES THEREOF Memorial Sloan-Kettering Cancer Center (US) 2016-06-22 EP disclosed
WO-2015023976-A2 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2015-02-19 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 (6 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-20160194328-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885HSP90AA1 9/4885TRAP1 15/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885HSP90AA1 9/4885TRAP1 15/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885HSP90AA1 9/4885TRAP1 15/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90B1 12/4885HSP90AA1 14/4885TRAP1 79/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885HSP90AA1 9/4885TRAP1 15/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885HSP90AA1 9/4885TRAP1 15/4885

“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.