SCHEMBL18579762

SCHEMBL18579762

Fc1ccccc1CCn1cnc(-c2ccccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 6/20 0.67
▸ KDM5B Q9UGL1 6/20 0.67
▸ KDM4C Q9H3R0 9/20 0.50
▸ KDM4A O75164 4/20 0.50
▸ PHF8 Q9UPP1 6/20 0.47
▸ KDM2B Q8NHM5 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18579809 0.86 KDM5B (0.65) KDM5AKDM5BKDM4CKDM4APHF8
SCHEMBL18579672 0.83 KDM4C (0.67) KDM5AKDM5BKDM4CKDM4APHF8
SCHEMBL18579812 0.83 KDM4C (0.67) KDM5AKDM5BKDM4CKDM4APHF8
SCHEMBL18579667 0.83 PHF8 (0.64) KDM5AKDM5BKDM4CKDM4APHF8
SCHEMBL19101706 0.81 KDM5A (0.67) KDM5AKDM5BKDM4CKDM4APHF8
SCHEMBL18579569 0.81 KDM5B (0.62) KDM5AKDM5BKDM4CKDM4AKDM2B
SCHEMBL16034016 0.80 KDM5A (1.00) KDM5AKDM5BKDM4CKDM4AKDM2B
SCHEMBL18579584 0.80 KDM4C (0.69) KDM5AKDM5BKDM4CKDM4APHF8
SCHEMBL16034331 0.77 KDM5B (0.77) KDM5AKDM5BKDM4CKDM4APHF8
SCHEMBL7101565 0.76 KDM4E (0.47) KDM5AKDM5BKDM4CKDM4AKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 — — US disclosed
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE PHARMACEUTICALS INC (US) 2017-03-09 — — 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-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM5A 8/4885KDM5B 10/4885KDM4C 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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