SCHEMBL501209

SCHEMBL501209

CNC(=O)c1nnc(-c2cc(C(C)C)c(OC)cc2O)n1-c1ccc(CN2CCN(C(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.41
HSP90AA1 P07900 6/20 0.38
HSP90B1 P14625 2/20 0.38
TRAP1 Q12931 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
HSP90AB1 P08238 2/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR5 P51681 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL501438 0.94 FGFR3 (0.41) FGFR3HSP90AA1HSP90B1TRAP1SMN1; SMN2
SCHEMBL500597 0.93 HSP90AA1 (0.40) FGFR3HSP90AA1HSP90B1TRAP1SMN1; SMN2
SCHEMBL501673 0.93 HSP90AA1 (0.38) FGFR3HSP90AA1HSP90B1TRAP1SMN1; SMN2
SCHEMBL501736 0.93 HSP90AA1 (0.44) HSP90AA1HSP90B1TRAP1SMN1; SMN2LMNA
SCHEMBL501170 0.92 HSP90AA1 (0.41) FGFR3HSP90AA1HSP90B1TRAP1SMN1; SMN2
SCHEMBL501702 0.92 HSP90AA1 (0.46) HSP90AA1HSP90B1TRAP1SMN1; SMN2LMNA
SCHEMBL501430 0.91 FGFR3 (0.40) FGFR3HSP90AA1HSP90B1TRAP1SMN1; SMN2
SCHEMBL500666 0.91 MEN1 (0.41) FGFR3HSP90AA1SMN1; SMN2LMNAKMT2A
SCHEMBL500984 0.90 HSP90AA1 (0.47) HSP90AA1HSP90B1TRAP1HSP90AB1ALDH1A1
SCHEMBL501003 0.90 HTR7 (0.39) HSP90AA1HSP90B1TRAP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US claimed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US claimed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP claimed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO claimed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US disclosed
US-8486932-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2013-07-16 US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS 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 (4 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 FGFR3 864/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 FGFR3 864/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 FGFR3 864/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 FGFR3 864/4885HSP90AA1 3/4885HSP90B1 2/4885

“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.