SCHEMBL16487461

SCHEMBL16487461

Cc1ccc(Sc2nc3c(N)ncnc3[nH]2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 5/20 0.47
TRAP1 Q12931 3/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
LMNA P02545 2/20 0.42
ERBB2 P04626 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP4K4 O95819 4/20 0.35
NUDT1 P36639 1/20 0.35
HTR1A P08908 2/20 0.33
HTR3A P46098 2/20 0.33

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
SCHEMBL13050401 0.85 HSP90AA1 (0.42) HSP90B1TRAP1HSP90AA1HSP90AB1LMNA
SCHEMBL15080556 0.85 HSP90AA1 (0.49) HSP90B1TRAP1HSP90AA1HSP90AB1LMNA
SCHEMBL11980432 0.84 MAP4K4 (0.42) HSP90AA1HSP90AB1LMNAERBB2HAO1
SCHEMBL16487462 0.83 HSP90AA1 (0.60) HSP90B1TRAP1HSP90AA1HSP90AB1LMNA
SCHEMBL28068959 0.83 HSP90AA1 (0.38) HSP90B1TRAP1HSP90AA1HSP90AB1LMNA
SCHEMBL3127628 0.83 ERBB2 (0.41) HSP90B1HSP90AA1HSP90AB1ERBB2HTT
SCHEMBL16486451 0.82 HSP90B1 (0.44) HSP90B1TRAP1HSP90AA1HSP90AB1LMNA
SCHEMBL3517738 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNAERBB2TSHR
SCHEMBL14467034 0.78 ERBB2 (0.41) HSP90AA1HSP90AB1ERBB2MAP4K4
SCHEMBL14067096 0.78 HSP90AA1 (0.43) HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2

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 9 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-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 US 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-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
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 1/4885TRAP1 15/4885HSP90AA1 9/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885HSP90AA1 9/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885HSP90AA1 9/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90B1 12/4885TRAP1 79/4885HSP90AA1 14/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885HSP90AA1 9/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885HSP90AA1 9/4885

“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.