SCHEMBL17710644

SCHEMBL17710644

CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(C2CC2)cc1.Clc1ccc([C@H]2CCCN2CCn2cnc(-c3ccccn3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 13/20 0.56
▸ KDM2B Q8NHM5 4/20 0.51
▸ KDM4A O75164 3/20 0.51
▸ KDM5A P29375 6/20 0.47
▸ KDM5B Q9UGL1 6/20 0.47

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
SCHEMBL19614555 0.86 KDM4C (0.57) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL17710643 0.85 KDM4C (0.47) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL17710625 0.85 KDM4C (0.55) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL16075664 0.84 KDM2B (0.69) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL16075683 0.83 KDM2B (0.60) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL20978933 0.83 KDM2B (0.60) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL16075667 0.83 KDM2B (0.60) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL17710642 0.81 KDM2B (0.65) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL16075663 0.81 KDM4C (0.74) KDM4CKDM2BKDM4AKDM5AKDM5B
SCHEMBL20978902 0.79 KDM2B (0.63) KDM4CKDM2BKDM4AKDM5AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527829-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2016-12-27 — — US disclosed
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-05-05 — — 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-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885KDM2B 19/4885KDM4A 12/4885

“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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