SCHEMBL17545011

SCHEMBL17545011

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.37
▸ KDM4A O75164 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ FNTA P49354 4/20 0.36
▸ FNTB P49356 4/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ P2RY14 Q15391 3/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ AGTR1 P30556 2/20 0.33
▸ AGTR2 P50052 2/20 0.33

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
SCHEMBL17544815 0.89 HSP90AA1 (0.39) KDM5AKDM5BFNTAFNTB
SCHEMBL17544589 0.86 PPARA (0.38) MMP13KDM4AKDM5AKDM4CKDM5B
SCHEMBL17544476 0.84 HSP90AA1 (0.43) MMP13KDM4AKDM5AKDM4CKDM5B
SCHEMBL17670426 0.82 ENPP2 (0.36) MMP13KDM4AKDM5AKDM4CKDM5B
SCHEMBL17670351 0.81 MMP13 (0.38) MMP13PPARAP2RY14PTGER4
SCHEMBL17544819 0.81 PDE6D (0.40) MMP13PIK3CAP2RY14AGTR1AGTR2
SCHEMBL17544604 0.81 PDE6D (0.42) MMP13PIK3CAP2RY14AGTR1AGTR2
SCHEMBL17670328 0.80 ALDH1A1 (0.38) MMP13KDM4AKDM5AKDM4CKDM5B
SCHEMBL17544639 0.80 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL17545013 0.79 EHMT2 (0.37) KDM4AKDM5AKDM4CKDM5B

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 MMP13 397/4885KDM4A 17/4885KDM5A 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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