SCHEMBL647199

SCHEMBL647199

CN(Cc1cccnc1)C(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.53
HSP90AB1 P08238 7/20 0.53
PDK1 Q15118 6/20 0.47
GPBAR1 Q8TDU6 1/20 0.42
GRM5 P41594 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
SCHEMBL647556 0.91 HSP90AA1 (0.63) HSP90AA1HSP90AB1PDK1
SCHEMBL645439 0.91 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL645729 0.90 HSP90AA1 (0.54) HSP90AA1HSP90AB1PDK1
SCHEMBL646164 0.90 HSP90AA1 (0.51) HSP90AA1HSP90AB1PDK1
SCHEMBL645589 0.88 HSP90AA1 (0.62) HSP90AA1HSP90AB1PDK1
SCHEMBL645487 0.88 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL646162 0.87 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL646024 0.87 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL646574 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL644321 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1PDK1

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 1/4885PDK1 716/4885

“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.