SCHEMBL17503762

SCHEMBL17503762

CN(C)CCn1cnc(-c2nccc3c(O)ncnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.49
▸ KDM5B Q9UGL1 2/20 0.49
▸ KDM2B Q8NHM5 3/20 0.40
▸ KDM4C Q9H3R0 4/20 0.38
▸ KDM4A O75164 2/20 0.38
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MAP4K4 O95819 2/20 0.30
▸ TGFBR1 P36897 2/20 0.30

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
SCHEMBL16128867 0.85 KDM5A (0.34) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503790 0.85 KDM5B (0.36) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503779 0.84 KDM5B (0.41) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503804 0.84 KDM4C (0.41) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503744 0.81 KDM2B (0.39) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL20550782 0.81 KDM4C (0.39) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503843 0.80 KDM4C (0.41) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503688 0.78 KDM5B (0.44) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503813 0.76 MCL1 (0.42) KDM5AKDM5BKDM2BKDM4CKDM4A
SCHEMBL17503689 0.76 CYP2D6 (0.38) KDM5AKDM5BKDM4CKDM4A

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 8 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
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 KDM5A 4/4885KDM5B 6/4885KDM2B 18/4885

“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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