SCHEMBL20129784

SCHEMBL20129784

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.45
HRH3 Q9Y5N1 2/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
KCNH2 Q12809 1/20 0.37

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
SCHEMBL18842802 0.92 KDM1A (0.55) KDM1AKCNH2
SCHEMBL20129783 0.84 KDM1A (0.46) KDM1AHRH3CYP11B1CYP11B2KCNH2
SCHEMBL18849093 0.83 KDM1A (0.49) KDM1AKCNH2
SCHEMBL20129788 0.78 KDM1A (0.48) KDM1AHRH3CYP11B1CYP11B2KCNH2
SCHEMBL20129789 0.78 KDM1A (0.47) KDM1ACYP11B1CYP11B2KCNH2
SCHEMBL18842800 0.76 KDM1A (0.51) KDM1AHRH3CYP11B1CYP11B2KCNH2
SCHEMBL20129781 0.76 KDM1A (0.42) KDM1AHRH3CYP11B1CYP11B2KCNH2
SCHEMBL20129790 0.75 KDM1A (0.43) KDM1AHRH3KCNH2
SCHEMBL20129787 0.74 KDM1A (0.42) KDM1AHRH3CYP11B1CYP11B2KCNH2
SCHEMBL20129791 0.74 KDM1A (0.42) KDM1AHRH3CYP11B1CYP11B2KCNH2

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-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-05-10 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-20180127408-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885HRH3 1906/4885CYP11B1 2081/4885

“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.