SCHEMBL4368064

SCHEMBL4368064

Cc1nn(-c2ccc(C(N)=O)c(N)c2)c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.69
HSP90AA1 P07900 7/20 0.69
OPRM1 P35372 12/20 0.60
HSP90B1 P14625 1/20 0.53
TRAP1 Q12931 1/20 0.53
OPRK1 P41145 2/20 0.50
OPRD1 P41143 1/20 0.50

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
SCHEMBL15613351 0.90 HSP90AB1 (0.67) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL1220438 0.88 HSP90AB1 (0.65) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL1220268 0.87 HSP90AB1 (0.64) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL15613466 0.86 HSP90AB1 (0.74) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL16883493 0.86 HSP90AB1 (0.63) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL8130698 0.85 HSP90AB1 (0.71) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL19757268 0.85 HSP90AB1 (0.62) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL1220650 0.85 HSP90AA1 (0.93) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1
SCHEMBL14293452 0.85 HSP90AB1 (0.55) HSP90AB1HSP90AA1OPRM1OPRK1OPRD1
SCHEMBL20878988 0.85 HSP90AB1 (0.62) HSP90AB1HSP90AA1OPRM1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354365-A1 COMPOUNDS AND METHODS FOR TARGETING HSP90 DUKE UNIVERSITY (US) 2020-11-12 US disclosed
EP-2879675-B1 COMPOUNDS AND METHODS FOR TARGETING HSP90 UNIV DUKE (US) 2019-11-13 EP disclosed
WO-2009114470-A2 TETRAHYDROINDOLE AND TETRAHDYROINDAZOLE AS HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-09-17 WO disclosed
WO-2009114470-A2 TETRAHYDROINDOLE AND TETRAHDYROINDAZOLE AS HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-09-17 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-20200354365-A1 COMPOUNDS AND METHODS FOR TARGETING HSP90 HSP90B1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885HSP90AA1 4/4885OPRM1 4329/4885

“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.