SCHEMBL1394580

SCHEMBL1394580

Cc1nn(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)c2cccc(C(=O)O)c12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.51
HSP90AB1 P08238 1/20 0.42
PRKCQ Q04759 1/20 0.41

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
SCHEMBL1394581 1.00 HSP90AA1 (0.51) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1394184 0.91 HSP90AA1 (0.50) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1394185 0.91 HSP90AA1 (0.50) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1394981 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1394983 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1394440 0.84 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL2183007 0.80 PRKCQ (0.40) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1395432 0.80 HSP90AA1 (0.45) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1395433 0.80 HSP90AA1 (0.45) HSP90AA1HSP90AB1PRKCQ
SCHEMBL1395173 0.79 AR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 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 (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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PRKCQ 3826/4885

“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.