SCHEMBL16486994

SCHEMBL16486994

Nc1nccc2[nH]c(Sc3ccc(Cl)cc3Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 8/20 0.46
TRAP1 Q12931 3/20 0.46
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
RHEB Q15382 3/20 0.41
DHFR P00374 1/20 0.41
HSP90AA1 P07900 2/20 0.39
ERBB2 P04626 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MMP12 P39900 1/20 0.37
PTPN11 Q06124 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL16487336 0.81 HSP90B1 (0.43) HSP90B1TRAP1DHFRHSP90AA1HSP90AB1
SCHEMBL16486551 0.81 HSP90AA1 (0.51) HSP90B1TRAP1ITGB2ICAM1ITGAL
SCHEMBL4896589 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL17771184 0.76 MEN1 (0.57) LMNA
SCHEMBL12454385 0.74 ALDH1A1 (0.42) MMP12PTPN11
SCHEMBL4136117 0.73 HSP90AA1 (0.39) HSP90AA1
SCHEMBL16487475 0.73 TYMS (0.45) DHFRPTPN11
SCHEMBL4136704 0.72 HSP90AA1 (0.35) HSP90AA1LMNA
SCHEMBL14629898 0.72 JAK2 (0.50) MMP12LMNA
SCHEMBL19996820 0.72 NOS3 (0.35)

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 15/4885ITGB2 4041/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885ITGB2 4041/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885ITGB2 4041/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90B1 12/4885TRAP1 79/4885ITGB2 4560/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885ITGB2 4041/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90B1 1/4885TRAP1 15/4885ITGB2 4041/4885

“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.