SCHEMBL16487174

SCHEMBL16487174

Nc1ncnc2[nH]c(Cc3cc(Cl)ccc3Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MAP4K4 O95819 4/20 0.40
HSP90B1 P14625 2/20 0.39
ERBB2 P04626 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TRAP1 Q12931 1/20 0.35
ABL1 P00519 2/20 0.35
SRC P12931 2/20 0.35
EGFR P00533 1/20 0.35
PRKCA P17252 1/20 0.35
CCR2 P41597 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 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
SCHEMBL16486442 0.90 SMN1; SMN2 (0.51) SMN1; SMN2HTTHPGDMAP4K4HSP90B1
SCHEMBL16487031 0.79 MAP4K4 (0.45) MAP4K4LMNACCR2
SCHEMBL16486536 0.78 MAP4K4 (0.41) SMN1; SMN2HTTHPGDMAP4K4HSP90B1
SCHEMBL16487299 0.77 TAAR1 (0.44) SMN1; SMN2HTTMAP4K4LMNAPIK3CA
SCHEMBL870860 0.72 PI4KA (0.52) MAP4K4LMNA
SCHEMBL5066797 0.69 PI4KA (0.43) MAP4K4
SCHEMBL16487159 0.69 XIAP (0.38) SMN1; SMN2HTTMAP4K4HSP90B1HSP90AA1
SCHEMBL3965133 0.69 MAP4K4 (0.42) SMN1; SMN2HTTMAP4K4
SCHEMBL16486551 0.68 HSP90AA1 (0.51) SMN1; SMN2HTTHPGDHSP90B1ERBB2
SCHEMBL3465691 0.68 HSP90AB1 (0.40) HSP90B1ERBB2HSP90AA1HSP90AB1TRAP1

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 SMN1; SMN2 3127/4885HTT 2948/4885HPGD 1623/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 SMN1; SMN2 3127/4885HTT 2948/4885HPGD 1623/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 SMN1; SMN2 3127/4885HTT 2948/4885HPGD 1623/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P SMN1; SMN2 3092/4885HTT 3245/4885HPGD 2290/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 SMN1; SMN2 3127/4885HTT 2948/4885HPGD 1623/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 SMN1; SMN2 3127/4885HTT 2948/4885HPGD 1623/4885

“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.