SCHEMBL16033763

SCHEMBL16033763

Cc1cccnc1-c1cn(CCN(C)Cc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.41
▸ KDM4A O75164 2/20 0.40
▸ KDM4C Q9H3R0 2/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ MAOB P27338 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KDM5A P29375 2/20 0.39
▸ KDM5B Q9UGL1 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRMT8 Q9NR22 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38

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
SCHEMBL2976275 0.75 CARM1 (0.49) CYP2D6CYP2C9CYP2C19MAOBCYP3A4
SCHEMBL16033388 0.74 KDM5A (0.73) KDM4AKDM4CKDM5AKDM5BKDM2B
SCHEMBL13681921 0.74 MAOB (0.50) MAOBCARM1PRMT6PRMT8MAPK13
SCHEMBL17710641 0.72 KDM5B (0.43) KDM4AKDM4CKDM5AKDM5BKDM2B
SCHEMBL16034354 0.71 KDM4C (0.59) KDM4AKDM4CKDM5AKDM5BKDM2B
SCHEMBL17503790 0.70 KDM5B (0.36) KDM4AKDM4CKDM5AKDM5BKDM2B
SCHEMBL6840156 0.69 CYP1A2 (0.73) CYP2D6CYP2C9CYP2C19MAOBCYP3A4
SCHEMBL16033474 0.68 KDM5A (0.67) KDM4AKDM4CKDM5AKDM5BKDM2B
SCHEMBL16034190 0.68 KDM5A (0.71) KDM4AKDM4CKDM5AKDM5BKDM2B
SCHEMBL20550782 0.67 KDM4C (0.39) KDM4AKDM4CKDM5AKDM5BKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273222-B2 Histone demethylase inhibitors CELGENE QUANTSCEL RESEARCH, INC. (US) 2019-04-30 — — US disclosed
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 — — US disclosed
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — US disclosed
US-9701657-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-07-11 — — US disclosed
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE PHARMACEUTICALS INC (US) 2017-03-09 — — US disclosed
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
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 — — US disclosed
US-9133166-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-09-15 — — US disclosed
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-18 — — 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 (6 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-10273222-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B PDK1 406/4885KDM4A 12/4885KDM4C 13/4885
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B PDK1 406/4885KDM4A 12/4885KDM4C 13/4885
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B PDK1 406/4885KDM4A 12/4885KDM4C 13/4885
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B PDK1 406/4885KDM4A 12/4885KDM4C 13/4885
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B PDK1 406/4885KDM4A 12/4885KDM4C 13/4885
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B PDK1 406/4885KDM4A 12/4885KDM4C 13/4885

“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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