SCHEMBL17544575

SCHEMBL17544575

COC(=O)c1cc(Br)nc(CNCc2nccn2Cc2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 15/20 0.53
▸ HSP90AA1 P07900 14/20 0.53
▸ HSP90AB1 P08238 1/20 0.42
▸ WDR5 P61964 1/20 0.39

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
SCHEMBL17670341 0.81 HSP90AA1 (0.47) HSP90B1HSP90AA1HSP90AB1WDR5
SCHEMBL17544610 0.81 HSP90B1 (0.47) HSP90B1HSP90AA1HSP90AB1
SCHEMBL17670484 0.80 HSP90AA1 (0.44) HSP90B1HSP90AA1WDR5
SCHEMBL17549883 0.80 HSP90AA1 (0.44) HSP90B1HSP90AA1WDR5
SCHEMBL17544476 0.79 HSP90AA1 (0.43) HSP90B1HSP90AA1WDR5
SCHEMBL17670437 0.78 HSP90AA1 (0.42) HSP90B1HSP90AA1WDR5
SCHEMBL17544568 0.77 HSP90AA1 (0.41) HSP90B1HSP90AA1WDR5
SCHEMBL17544785 0.77 HSP90AA1 (0.42) HSP90B1HSP90AA1WDR5
SCHEMBL17549893 0.76 HSP90AA1 (0.41) HSP90B1HSP90AA1WDR5
SCHEMBL17670432 0.76 HSP90AA1 (0.41) HSP90B1HSP90AA1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 HSP90B1 2301/4885HSP90AA1 820/4885HSP90AB1 794/4885

“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.

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