SCHEMBL18842802

SCHEMBL18842802

CCn1cnc(-c2sc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 19/20 0.55
KCNH2 Q12809 1/20 0.40
SSTR5 P35346 1/20 0.39

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
SCHEMBL20129784 0.92 KDM1A (0.45) KDM1AKCNH2
SCHEMBL18849093 0.91 KDM1A (0.49) KDM1AKCNH2SSTR5
SCHEMBL18842800 0.84 KDM1A (0.51) KDM1AKCNH2
SCHEMBL18849117 0.81 KDM1A (0.49) KDM1AKCNH2
SCHEMBL17396353 0.79 KDM1A (0.50) KDM1A
SCHEMBL29382074 0.79 KDM1A (0.50) KDM1A
SCHEMBL17403633 0.79 KDM1A (0.57) KDM1AKCNH2
SCHEMBL17396332 0.79 KDM1A (0.56) KDM1AKCNH2SSTR5
SCHEMBL17403623 0.78 KDM1A (0.56) KDM1AKCNH2
SCHEMBL20623142 0.77 KDM1A (0.48) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-05-10 US disclosed
US-9902719-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-27 US disclosed
US-20170129882-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-05-11 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 (2 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-20170129882-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885KCNH2 2447/4885SSTR5 4545/4885
US-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885KCNH2 2447/4885SSTR5 4545/4885

“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.