SCHEMBL17503779

SCHEMBL17503779

CN(CCn1cnc(-c2nccc3c(O)ncnc23)c1)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 6/20 0.41
▸ KDM5A P29375 4/20 0.41
▸ KDM4A O75164 4/20 0.37
▸ KDM6B O15054 2/20 0.37
▸ KDM4B O94953 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ KDM3A Q9Y4C1 1/20 0.37
▸ KDM2B Q8NHM5 3/20 0.37
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ KDM4C Q9H3R0 5/20 0.35
▸ RPS6KB1 P23443 1/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL17503790 0.91 KDM5B (0.36) KDM5BKDM5AKDM4AKDM2BKDM4C
SCHEMBL17503804 0.91 KDM4C (0.41) KDM5BKDM5AKDM4AKDM4BKDM5C
SCHEMBL17503744 0.87 KDM2B (0.39) KDM5BKDM5AKDM4AKDM6BKDM4B
SCHEMBL20550782 0.87 KDM4C (0.39) KDM5BKDM5AKDM4AKDM2BKDM4C
SCHEMBL17503762 0.84 KDM5A (0.49) KDM5BKDM5AKDM4AKDM2BKDM4C
SCHEMBL16128867 0.77 KDM5A (0.34) KDM5BKDM5AKDM4AKDM2BKDM4C
SCHEMBL16034926 0.73 KDM5A (0.73) KDM5BKDM5AKDM4AKDM2BKDM4C
SCHEMBL17503843 0.72 KDM4C (0.41) KDM5BKDM5AKDM4AKDM4BKDM2B
SCHEMBL19158945 0.71 MAPK13 (0.34) KDM5BKDM4AKDM6BKDM4BKDM5C
SCHEMBL17503689 0.71 CYP2D6 (0.38) KDM5BKDM5AKDM4AKDM4BKDM5C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US 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-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C KDM5B 6/4885KDM5A 4/4885KDM4A 11/4885

“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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