SCHEMBL501673

SCHEMBL501673

CCN1CCN(Cc2ccc(-n3c(C(=O)NC)nnc3-c3cc(C(C)C)c(OC)cc3O)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.38
HSP90B1 P14625 3/20 0.38
TRAP1 Q12931 3/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
HSP90AB1 P08238 2/20 0.36
PDK1 Q15118 1/20 0.36
FGFR3 P22607 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 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
SCHEMBL500898 0.93 HSP90AA1 (0.40) HSP90AA1HSP90B1TRAP1NPC1TP53
SCHEMBL500597 0.93 HSP90AA1 (0.40) HSP90AA1HSP90B1TRAP1SMN1; SMN2LMNA
SCHEMBL501736 0.93 HSP90AA1 (0.44) HSP90AA1HSP90B1TRAP1SMN1; SMN2ALDH1A1
SCHEMBL501209 0.93 FGFR3 (0.41) HSP90AA1HSP90B1TRAP1MAPTSMN1; SMN2
SCHEMBL501434 0.93 HSP90AA1 (0.42) HSP90AA1HSP90B1TRAP1NPC1TP53
SCHEMBL501702 0.93 HSP90AA1 (0.46) HSP90AA1HSP90B1TRAP1SMN1; SMN2ALDH1A1
SCHEMBL501590 0.93 POLB (0.43) HSP90AA1MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL501618 0.91 HSP90AA1 (0.37) HSP90AA1HSP90B1TRAP1NPC1TP53
SCHEMBL500984 0.91 HSP90AA1 (0.47) HSP90AA1HSP90B1TRAP1ALDH1A1HSP90AB1
SCHEMBL501369 0.91 HSP90AA1 (0.44) HSP90AA1HSP90B1TRAP1HSP90AB1PDK1

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 29 patents — showing the first 20. 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-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 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-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 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
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 HSP90AA1 3/4885HSP90B1 2/4885TRAP1 7/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90B1 2/4885TRAP1 7/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90B1 2/4885TRAP1 7/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AA1 3/4885HSP90B1 2/4885TRAP1 7/4885

“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.