SCHEMBL16486997

SCHEMBL16486997

Nc1ncnc2[nH]c(Sc3ccc(Cl)cc3C(F)(F)F)nc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 2/20 0.42
ERBB2 P04626 1/20 0.42
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90B1 P14625 8/20 0.36
TRAP1 Q12931 2/20 0.36
MAP4K4 O95819 4/20 0.36

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
SCHEMBL16486831 0.87 HSP90AA1 (0.38) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL16487161 0.85 LMNA (0.45) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL16486551 0.85 HSP90AA1 (0.51) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL16486867 0.78 PDE7A (0.50) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL16487228 0.78 HSP90AA1 (0.49) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL3116678 0.78 LMNA (0.68) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL16486623 0.76 HSP90AA1 (0.46) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL1861838 0.76 HSP90AA1 (0.69) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL16487017 0.76 HSP90AA1 (0.49) LMNATSHRHSP90AA1HSP90AB1ERBB2
SCHEMBL5131165 0.75 HSP90AB1 (0.38) LMNATSHRHSP90AA1HSP90AB1ERBB2

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 LMNA 4391/4885TSHR 3467/4885HSP90AA1 9/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 LMNA 4391/4885TSHR 3467/4885HSP90AA1 9/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 LMNA 4391/4885TSHR 3467/4885HSP90AA1 9/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P LMNA 3894/4885TSHR 454/4885HSP90AA1 14/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 LMNA 4391/4885TSHR 3467/4885HSP90AA1 9/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 LMNA 4391/4885TSHR 3467/4885HSP90AA1 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.