SCHEMBL16487228

SCHEMBL16487228

Nc1ncnc2[nH]c(Sc3ccc(F)cc3Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
ERBB2 P04626 1/20 0.49
HSP90AB1 P08238 1/20 0.49
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PTPN11 Q06124 1/20 0.39
HSP90B1 P14625 7/20 0.38
TRAP1 Q12931 1/20 0.38
MAP4K4 O95819 3/20 0.37
CLK1 P49759 1/20 0.36
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16486551 0.87 HSP90AA1 (0.51) HSP90AA1ERBB2HSP90AB1LMNATSHR
SCHEMBL16487017 0.85 HSP90AA1 (0.49) HSP90AA1ERBB2HSP90AB1LMNATSHR
SCHEMBL1861838 0.83 HSP90AA1 (0.69) HSP90AA1ERBB2HSP90AB1LMNATSHR
SCHEMBL16487161 0.82 LMNA (0.45) HSP90AA1ERBB2HSP90AB1LMNATSHR
SCHEMBL16486623 0.81 HSP90AA1 (0.46) HSP90AA1ERBB2HSP90AB1LMNATSHR
SCHEMBL3128953 0.80 ERBB2 (0.40) HSP90AA1ERBB2HSP90AB1HSP90B1MAP4K4
SCHEMBL3116409 0.78 ERBB2 (0.43) HSP90AA1ERBB2HSP90AB1LMNAMAP4K4
SCHEMBL16486997 0.78 LMNA (0.43) HSP90AA1ERBB2HSP90AB1LMNATSHR
SCHEMBL16487215 0.78 HSP90AA1 (0.43) HSP90AA1ERBB2HSP90AB1LMNATSHR
SCHEMBL15080556 0.78 HSP90AA1 (0.49) HSP90AA1ERBB2HSP90AB1LMNATSHR

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 11 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
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 9/4885ERBB2 725/4885HSP90AB1 4/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885ERBB2 725/4885HSP90AB1 4/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885ERBB2 725/4885HSP90AB1 4/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P HSP90AA1 14/4885ERBB2 402/4885HSP90AB1 8/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885ERBB2 725/4885HSP90AB1 4/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 HSP90AA1 9/4885ERBB2 725/4885HSP90AB1 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.