SCHEMBL16487462

SCHEMBL16487462

Cc1ccc(Sc2nc3ncnc(N)c3[nH]2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.60
HSP90AB1 P08238 2/20 0.60
ERBB2 P04626 1/20 0.60
NUDT1 P36639 2/20 0.56
LMNA P02545 3/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HSP90B1 P14625 3/20 0.41
TRAP1 Q12931 2/20 0.41

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
SCHEMBL16487461 0.83 HSP90B1 (0.47) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL1861839 0.75 ERBB2 (1.00) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL5132693 0.74 LMNA (0.74) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL17060218 0.73 NUDT1 (1.00) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL18776103 0.70 NUDT1 (0.71) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL30109321 0.69 NUDT1 (0.68) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL1059581 0.69 NUDT1 (0.68) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL1858421 0.68 HSP90AA1 (0.55) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL31709352 0.68 HSP90AA1 (0.55) HSP90AA1HSP90AB1ERBB2NUDT1LMNA
SCHEMBL15080556 0.68 HSP90AA1 (0.49) HSP90AA1HSP90AB1ERBB2NUDT1LMNA

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 10 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
CN-105899503-A Selective GRP94 inhibitors and uses thereof 纪念斯隆-凯特琳癌症中心 2016-08-24 CN 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 4/4885ERBB2 725/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90AA1 14/4885HSP90AB1 8/4885ERBB2 402/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885HSP90AB1 4/4885ERBB2 725/4885

“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.