SCHEMBL16006940

SCHEMBL16006940

CCN(CC)CCCCNC(=O)CNCc1cc(/C=N/C2CC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 11/20 0.36
▸ KDM5C P41229 7/20 0.36
▸ KDM5A P29375 6/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.35
▸ KDM5D Q9BY66 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TERT O14746 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 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
SCHEMBL16293500 1.00 KDM5B (0.36) KDM5BKDM5CKDM5AKDM4ASMN1; SMN2
SCHEMBL17984993 0.88 TERT (0.34) SMN1; SMN2RXFP1TERT
SCHEMBL15994366 0.86 KDM5B (0.41) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16293826 0.83 APP (0.35) SMN1; SMN2RXFP1IGF1RGAALMNA
SCHEMBL17365406 0.81 KDM4E (0.39) KDM5BKDM5AKDM2BKDM4CLMNA
SCHEMBL16006920 0.81 KDM5B (0.34) KDM5BKDM5CKDM5AKDM4ASMN1; SMN2
SCHEMBL15993982 0.79 KDM5B (0.44) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL16305495 0.78 KDM5B (0.43) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994045 0.78 CHRM2 (0.36) KDM5BKDM5CKDM5AKDM4AKDM6B
SCHEMBL15994044 0.78 CHRM2 (0.36) KDM5BKDM5CKDM5AKDM4AKDM6B

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
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
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
WO-2014131777-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-09-04 — — 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 (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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