SCHEMBL16487299

SCHEMBL16487299

Nc1ncnc2[nH]c(Cc3c(Cl)cccc3Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
MAP4K4 O95819 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LCK P06239 1/20 0.40
PI4KA P42356 2/20 0.37
PI4K2B Q8TCG2 2/20 0.37
PI4K2A Q9BTU6 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
IGF1R P08069 1/20 0.37
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 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
SCHEMBL4203963 0.87 TAAR1 (0.45) TAAR1MEN1KMT2ALCKPKM
SCHEMBL16487031 0.85 MAP4K4 (0.45) TAAR1MAP4K4PI4KAPI4K2BPI4K2A
SCHEMBL3965133 0.83 MAP4K4 (0.42) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL870860 0.78 PI4KA (0.52) MAP4K4KMT2API4KAPI4K2BPI4K2A
SCHEMBL16486442 0.77 SMN1; SMN2 (0.51) MAP4K4SMN1; SMN2NPC1HTTPPP1CA
SCHEMBL16487174 0.77 SMN1; SMN2 (0.43) MAP4K4PIK3CAPIK3CBSMN1; SMN2HTT
SCHEMBL16486536 0.75 MAP4K4 (0.41) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL14353801 0.75 MEN1 (0.37) TAAR1MEN1KMT2ALCKIGF1R
SCHEMBL16487159 0.74 XIAP (0.38) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL3107504 0.74 TRPV1 (0.53)

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 TAAR1 2663/4885MAP4K4 1930/4885MEN1 4449/4885
US-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 TAAR1 2663/4885MAP4K4 1930/4885MEN1 4449/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 TAAR1 2663/4885MAP4K4 1930/4885MEN1 4449/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P TAAR1 322/4885MAP4K4 3746/4885MEN1 4288/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 TAAR1 2663/4885MAP4K4 1930/4885MEN1 4449/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 TAAR1 2663/4885MAP4K4 1930/4885MEN1 4449/4885

“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.