SCHEMBL17544982

SCHEMBL17544982

COC(=O)c1cc(CNCc2nncn2Cc2ccc(F)cc2)nc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FNTA P49354 2/20 0.32
▸ FNTB P49356 2/20 0.32

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 0.93 MAPT (0.36) MAPTGRM2TP53POLBMEN1
SCHEMBL17544815 0.87 HSP90AA1 (0.39) HSP90AA1HSP90B1KDM5AKDM5BMAPT
SCHEMBL17544550 0.85 PDE6D (0.38) KDM5AKDM5BMAPTLMNAGRM2
SCHEMBL17544576 0.85 TP53 (0.37) KDM5AKDM5BMAPTLMNAGRM2
SCHEMBL17544599 0.80 MAPT (0.38) MAPTLMNATP53POLBKMT2A
SCHEMBL17544568 0.80 HSP90AA1 (0.41) HSP90AA1HSP90B1MAPTLMNAGRM2
SCHEMBL17544716 0.79 GRM2 (0.37) MAPTGRM2TP53POLBMEN1
SCHEMBL17545011 0.77 MMP13 (0.37) KDM5AKDM5BFNTAFNTB
SCHEMBL17549909 0.71 EHMT2 (0.41) MAPTLMNA
SCHEMBL17544765 0.71 TP53 (0.40) MAPTLMNAGRM2TP53POLB

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 8 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
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 2301/4885KDM5A 14/4885

“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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