SCHEMBL4903368

SCHEMBL4903368

Nc1ncnc2[nH]c(Sc3cc4c(cc3Cl)OCO4)nc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.50
HSP90AB1 P08238 16/20 0.50
ERBB2 P04626 4/20 0.50
CDC37 Q16543 1/20 0.43
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37

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
SCHEMBL3745457 0.93 HSP90AA1 (0.50) HSP90AA1HSP90AB1ERBB2CDC37HSP90B1
SCHEMBL1858420 0.86 HSP90AA1 (0.50) HSP90AA1HSP90AB1ERBB2
SCHEMBL13845812 0.86 HSP90AB1 (0.37) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL3122649 0.86 HSP90AB1 (0.50) HSP90AA1HSP90AB1ERBB2CDC37HSP90B1
SCHEMBL30599262 0.86 HSP90AB1 (0.50) HSP90AA1HSP90AB1ERBB2CDC37HSP90B1
SCHEMBL14067096 0.86 HSP90AA1 (0.43) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL1861838 0.83 HSP90AA1 (0.69) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL11980469 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL3524045 0.83 HSP90AA1 (0.47) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL4896589 0.81 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDC37

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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 (2 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 HSP90AA1 417/4885HSP90AB1 157/4885ERBB2 2794/4885
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885ERBB2 2208/4885

“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.