SCHEMBL16293837

SCHEMBL16293837

NC(=O)CNCc1cc(C=NCCO)ccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 12/20 0.37
▸ KDM5C P41229 9/20 0.37
▸ KDM5A P29375 6/20 0.37
▸ KDM4C Q9H3R0 2/20 0.37
▸ KDM5D Q9BY66 1/20 0.37
▸ KDM4A O75164 4/20 0.35
▸ KDM4B O94953 2/20 0.35
▸ KDM6B O15054 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ LMNA P02545 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
SCHEMBL16293836 1.00 KDM5B (0.37) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16292658 0.84 KDM5B (0.40) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL18880295 0.83 KDM5B (0.51) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL18880294 0.82 KDM5B (0.33) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16293002 0.82 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL18831148 0.80 KDM5B (0.36) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL15996136 0.79 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL15996137 0.79 KDM5B (0.62) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16292659 0.78 SIRT2 (0.34) KDM5BKDM5CKDM5AKDM4CKDM5D
SCHEMBL16292657 0.78 SIRT2 (0.34) KDM5BKDM5CKDM5AKDM4CKDM5D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (2 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM5B 27/4885KDM5C 16/4885KDM5A 21/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A KDM5B 27/4885KDM5C 16/4885KDM5A 21/4885

“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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