SCHEMBL16487229

SCHEMBL16487229

CCCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 17/20 1.00
▸ HSP90AA1 P07900 4/20 0.57
▸ HSP90AB1 P08238 4/20 0.57
▸ TRAP1 Q12931 3/20 0.57
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46

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
SCHEMBL16486667 0.85 HSP90B1 (1.00) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL21861885 0.84 HSP90B1 (0.73) HSP90B1HSP90AA1HSP90AB1
SCHEMBL16486992 0.80 HSP90B1 (0.76) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL21861896 0.80 HSP90B1 (0.87) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL16487020 0.79 HSP90B1 (0.78) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL17897933 0.78 HSP90B1 (1.00) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL16513010 0.78 HSP90B1 (0.69) HSP90B1HSP90AA1HSP90AB1TRAP1ADORA2A
SCHEMBL28462612 0.77 HSP90B1 (0.68) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL17897932 0.76 HSP90B1 (0.92) HSP90B1HSP90AA1HSP90AB1TRAP1
SCHEMBL16486626 0.76 HSP90B1 (0.76) HSP90B1HSP90AA1HSP90AB1TRAP1

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

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