SCHEMBL17503689

SCHEMBL17503689

Oc1ncnc2c(-c3cn(CCNCc4ccccc4)cn3)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM5B Q9UGL1 3/20 0.35
▸ KDM5A P29375 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ KDM4C Q9H3R0 3/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ MPO P05164 2/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CTSB P07858 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
SCHEMBL16128867 0.80 KDM5A (0.34) KDM5BKDM5AKDM4CKDM4A
SCHEMBL19158982 0.77 KDM4C (0.32) KDM5BKDM5AKDM4CLTA4HMEN1
SCHEMBL17503762 0.76 KDM5A (0.49) KDM5BKDM5AKDM4CKDM4A
SCHEMBL17503843 0.72 KDM4C (0.41) KDM5BKDM5AKDM4CKDM4AKDM4B
SCHEMBL17503790 0.71 KDM5B (0.36) KDM5BKDM5AKDM4CADAMTS5KDM4A
SCHEMBL17503779 0.71 KDM5B (0.41) KDM5BKDM5ARPS6KB1KDM4CMAPK13
SCHEMBL17503804 0.71 KDM4C (0.41) KDM5BKDM5AKDM4CKDM4AKDM4B
SCHEMBL14416033 0.70 MEN1 (0.47) DRD2DRD4DRD3DPP7MEN1
SCHEMBL20550782 0.68 KDM4C (0.39) KDM5BKDM5AKDM4CADAMTS5MEN1
SCHEMBL17503744 0.68 KDM2B (0.39) KDM5BKDM5AKDM4CKDM4AKDM4B

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 5 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
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

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 CYP2D6 2059/4885CYP1A2 1867/4885ALOX15 2844/4885

“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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