SCHEMBL17544568

SCHEMBL17544568

CCOC(=O)c1cc(CNCc2nccn2Cc2ccc(F)cc2)nc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.41
▸ HSP90B1 P14625 3/20 0.41
▸ MAPT P10636 1/20 0.39
▸ TP53 P04637 5/20 0.38
▸ P2RY12 Q9H244 1/20 0.37
▸ OPRD1 P41143 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ WDR5 P61964 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ GRM2 Q14416 1/20 0.34

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
SCHEMBL17683839 0.87 MAPT (0.36) MAPTTP53P2RY12KDM4EALDH1A1
SCHEMBL17544716 0.87 GRM2 (0.37) MAPTTP53P2RY12KDM4EALDH1A1
SCHEMBL17544982 0.80 HSP90AA1 (0.36) HSP90AA1HSP90B1MAPTTP53LMNA
SCHEMBL17670341 0.79 HSP90AA1 (0.47) HSP90AA1HSP90B1TP53LMNAWDR5
SCHEMBL17544550 0.78 PDE6D (0.38) MAPTTP53LMNAPOLBGRM2
SCHEMBL17544576 0.78 TP53 (0.37) MAPTTP53LMNAPOLBGRM2
SCHEMBL17670484 0.78 HSP90AA1 (0.44) HSP90AA1HSP90B1TP53LMNAWDR5
SCHEMBL17544575 0.77 HSP90B1 (0.53) HSP90AA1HSP90B1WDR5
SCHEMBL17549883 0.76 HSP90AA1 (0.44) HSP90AA1HSP90B1TP53LMNAWDR5
SCHEMBL17545006 0.75 MAPT (0.41) MAPTTP53P2RY12LMNAKDM4E

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 5 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
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
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 HSP90AA1 820/4885HSP90B1 2301/4885MAPT 4137/4885

“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.

Send feedback