SCHEMBL1923039

SCHEMBL1923039

NC(=O)c1nnc(-c2cc3c(cc2O)OCO3)n1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PRKDC P78527 4/20 0.39
LRRK2 Q5S007 3/20 0.39
GAA P10253 1/20 0.38
FLT3 P36888 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL1870020 0.81 HSP90AA1 (0.52) PRKDCLRRK2CSF1RPDGFRA
SCHEMBL15287649 0.78 PRKAB2 (0.43) PRKDCLRRK2JAK2JAK1TYK2
SCHEMBL1923217 0.77 ALDH1A1 (0.38) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL15287848 0.75 HSP90AA1 (0.49)
SCHEMBL15288049 0.75 HSP90AA1 (0.46) LRRK2CSF1RPDGFRA
SCHEMBL1923317 0.74 MAPT (0.41) MAPTNPC1RAB9APRKDCGAA
SCHEMBL1864619 0.74 HSP90AA1 (0.44) ALDH1A1KMT2AMEN1ALOX15MAPK1
SCHEMBL500720 0.74 HSP90AA1 (0.52)
SCHEMBL501320 0.73 PDK1 (0.45) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL501626 0.73 PTPN11 (0.48) MAPTNPC1RAB9AGAAALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US claimed
EP-2328893-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2013-03-20 EP claimed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US claimed
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US disclosed
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US disclosed
US-9126953-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-08 US disclosed
EP-2328893-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2013-03-20 EP disclosed
EP-2328893-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2013-03-20 EP disclosed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US disclosed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US disclosed
US-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-09-15 US disclosed
EP-2328893-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-06-08 EP disclosed
WO-2010017479-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2010-02-11 WO disclosed
WO-2010017479-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2010-02-11 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 (1 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-20110224206-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 MAPT 2733/4885NPC1 1744/4885RAB9A 2993/4885

“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.