SCHEMBL17544815

SCHEMBL17544815

COC(=O)c1cc(CO)nc(CNCc2nncn2Cc2ccc(F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ GRM2 Q14416 3/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ YTHDC1 Q96MU7 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM5B Q9UGL1 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
SCHEMBL17545011 0.89 MMP13 (0.37) FNTAFNTBKDM5AKDM5B
SCHEMBL17544982 0.87 HSP90AA1 (0.36) HSP90AA1HSP90B1GRM2CYP11B1CYP11B2
SCHEMBL17544765 0.83 TP53 (0.40) GRM2MAPTTP53P2RX3LMNA
SCHEMBL17544636 0.83 TP53 (0.40) GRM2MAPTTP53P2RX3LMNA
SCHEMBL17683843 0.80 TP53 (0.40) HSP90AA1HSP90B1GRM2MAPTTP53
SCHEMBL17670328 0.80 ALDH1A1 (0.38) HSP90AA1HSP90B1GRM2CYP11B1CYP11B2
SCHEMBL17683839 0.80 MAPT (0.36) GRM2MAPTTP53MEN1KMT2A
SCHEMBL17549942 0.79 TP53 (0.39) GRM2MAPTTP53KMT2AP2RX3
SCHEMBL17545006 0.79 MAPT (0.41) GRM2MAPTTP53MEN1KMT2A
SCHEMBL17544968 0.77 MAPT (0.41) MAPTTP53MEN1KMT2AP2RX3

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 HSP90AA1 820/4885HSP90B1 2301/4885GRM2 1490/4885

“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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