SCHEMBL646436

SCHEMBL646436

COc1cccc(CN(C)C(=O)c2cc(-c3nnc(O)n3-c3ccccc3F)c(O)cc2O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.55
HSP90AB1 P08238 6/20 0.55
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL645256 0.93 HSP90AA1 (0.63) HSP90AA1HSP90AB1KMT2AMEN1NPC1
SCHEMBL646439 0.92 HSP90AA1 (0.65) HSP90AA1HSP90AB1KMT2AMEN1NPC1
SCHEMBL645441 0.91 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AMEN1NPC1
SCHEMBL644861 0.91 HSP90AA1 (0.57) HSP90AA1HSP90AB1NPC1
SCHEMBL647197 0.88 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL646577 0.87 HSP90AA1 (0.53) HSP90AA1HSP90AB1NPC1
SCHEMBL645474 0.85 HSP90AA1 (0.74) HSP90AA1HSP90AB1KMT2AMEN1NPC1
SCHEMBL10170540 0.85 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL645745 0.85 HSP90AA1 (0.66) HSP90AA1HSP90AB1NPC1
SCHEMBL644581 0.84 HSP90AA1 (0.51) HSP90AA1HSP90AB1

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
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP claimed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US claimed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885KMT2A 3872/4885

“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.