SCHEMBL17544545

SCHEMBL17544545

COC(=O)c1cc(C)nc(CNCc2nccn2CCc2cncnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 10/20 0.42
▸ HSP90AA1 P07900 9/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL17544777 0.91 HSP90AA1 (0.36) HSP90B1HSP90AA1BRD4KDM5B
SCHEMBL17670496 0.79 ALDH1A1 (0.40) HSP90B1HSP90AA1SMN1; SMN2ALDH1A1HSP90AB1
SCHEMBL17670498 0.79 HSP90B1 (0.40) HSP90B1ALDH1A1KDM4EMAPT
SCHEMBL17670343 0.78 L3MBTL1 (0.41) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17683749 0.77 YTHDC1 (0.34) HSP90B1HSP90AA1HSP90AB1KDM4C
SCHEMBL19522722 0.75 KDM4C (0.42) HSP90B1HSP90AA1HSP90AB1BRD4KDM4C
SCHEMBL17670467 0.73 ADORA2A (0.34) SMN1; SMN2ALDH1A1KDM5AKDM5B
SCHEMBL17549907 0.70 BRD4 (0.34) SMN1; SMN2BRD4KDM5AKDM5B
SCHEMBL17549930 0.69 MEN1 (0.32) ALDH1A1KDM5AKDM5B
SCHEMBL17670471 0.69 P2RY14 (0.38) HSP90B1HSP90AA1SMN1; SMN2HSP90AB1

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 820/4885SMN1; SMN2 3889/4885

“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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