SCHEMBL3915950

SCHEMBL3915950

COc1cc(Nn2c(O)nnc2-c2ccc(O)c(C(C)C)c2)ccc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PDE4A P27815 10/20 0.37
PDE4D Q08499 10/20 0.37
QPCT Q16769 2/20 0.36
PDE4B Q07343 8/20 0.36
PDE4C Q08493 8/20 0.36
RECQL P46063 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 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
SCHEMBL3918904 0.91 POLB (0.37) POLBPDE4APDE4DQPCTPDE4B
SCHEMBL6747515 0.88 POLB (0.39) POLBPDE4APDE4DQPCTPDE4B
SCHEMBL3921018 0.80 PDE4B (0.44) PDE4APDE4DPDE4BPDE4CRECQL
SCHEMBL3998687 0.80 PDE4B (0.45) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL6747522 0.80 POLB (0.38) POLBPDE4APDE4DQPCTPDE4B
SCHEMBL5094491 0.79 ALDH1A1 (0.38) PDE4APDE4DPDE4BPDE4C
SCHEMBL3920230 0.79 HSP90AA1 (0.44)
SCHEMBL3919259 0.76 PDE4B (0.43) PDE4APDE4DPDE4BPDE4CRECQL
SCHEMBL3918229 0.75 PDE4B (0.44) POLBPDE4APDE4DPDE4BPDE4C
SCHEMBL4001975 0.74 CHRM4 (0.38) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US claimed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US claimed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US claimed
EP-2038262-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-03-25 EP claimed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US claimed
WO-2007139968-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO claimed
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US 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 (3 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-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 POLB 1635/4885PDE4A 1902/4885PDE4D 2598/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 POLB 1635/4885PDE4A 1902/4885PDE4D 2598/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 POLB 1635/4885PDE4A 1902/4885PDE4D 2598/4885

“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.