SCHEMBL19614552

SCHEMBL19614552

CN(CCn1cnc(-c2cc(C(=O)NC#N)ccn2)c1)Cc1ccc(C(F)(F)F)cc1.O=C(O)c1ccnc(-c2cn(CCN3CCC[C@@H]3c3ccc(F)cc3)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 11/20 0.54
▸ KDM5A P29375 5/20 0.53
▸ KDM5B Q9UGL1 5/20 0.53
▸ KDM2B Q8NHM5 6/20 0.46
▸ KDM4A O75164 4/20 0.41

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
SCHEMBL19614555 0.88 KDM4C (0.57) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16078954 0.84 KDM4C (0.66) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16078957 0.82 KDM4C (0.69) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL17710625 0.82 KDM4C (0.55) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16078936 0.79 KDM4C (0.73) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16075692 0.79 KDM5A (0.62) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16075665 0.79 KDM5A (0.62) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL20979051 0.79 KDM5A (0.62) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL16033464 0.79 KDM5A (0.66) KDM4CKDM5AKDM5BKDM2BKDM4A
SCHEMBL19614578 0.79 KDM4C (0.66) KDM4CKDM5AKDM5BKDM2BKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — 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-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885KDM5A 8/4885KDM5B 10/4885

“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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