SCHEMBL16486808

SCHEMBL16486808

COc1cccc(-c2cc(Cl)cc(Sc3nc4c(N)ncnc4n3CCCNC(C)C)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.73
HSP90AB1 P08238 10/20 0.73
HSP90B1 P14625 10/20 0.73
TRAP1 Q12931 5/20 0.73
ERBB2 P04626 6/20 0.63

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
SCHEMBL16487180 0.92 HSP90B1 (0.77) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL16487186 0.87 HSP90B1 (0.72) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL16487080 0.86 HSP90B1 (0.70) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL16487210 0.85 HSP90B1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL29358958 0.85 HSP90B1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL16486946 0.85 HSP90B1 (0.75) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL24145041 0.84 HSP90B1 (0.78) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL16486948 0.84 HSP90B1 (0.78) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL16487291 0.84 HSP90B1 (0.77) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2
SCHEMBL16487058 0.84 HSP90B1 (0.77) HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2

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 14 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
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 HSP90AA1 9/4885HSP90AB1 4/4885HSP90B1 1/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885HSP90B1 1/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885HSP90B1 1/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90AA1 14/4885HSP90AB1 8/4885HSP90B1 12/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885HSP90B1 1/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885HSP90B1 1/4885

“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.