SCHEMBL21068988

SCHEMBL21068988

Cn1cc2cc(-c3cc[c]n3C)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CHRM1 P11229 5/20 0.35
KDM1A O60341 3/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CHRM4 P08173 1/20 0.34
MAT2A P31153 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
SCHEMBL6618268 0.80 KDM4E (0.43) KDM4EMAPTNSD2ALDH1A1BACE1
SCHEMBL22130148 0.74 KDM4E (0.59) KDM4EMAPTNSD2ALDH1A1BACE1
SCHEMBL28028402 0.74 BRAF (0.47) KDM4EMAPTNSD2ALDH1A1BACE1
SCHEMBL29303290 0.72 KDM4E (0.42) KDM4EMAPTNSD2ALDH1A1BACE1
SCHEMBL6618263 0.72 KDM4E (0.40) KDM4EMAPTNSD2ALDH1A1BACE1
SCHEMBL27914445 0.71 BACE1 (0.41) KDM4EMAPTNSD2ALDH1A1BACE1
SCHEMBL22926317 0.71 KDM4E (0.41) KDM4EMAPTNSD2ALDH1A1BACE1
SCHEMBL2752348 0.68 MAPT (0.45) MAPTALDH1A1
SCHEMBL16595983 0.68 MAOA (0.46) KDM4EBACE1CHRM1KDM1AMAOA
SCHEMBL422738 0.68 KDM4E (0.50) KDM4EMAPTNSD2ALDH1A1BACE1

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-10626103-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 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-10626103-B2 Inhibitor of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM4E 15/4885MAPT 2977/4885NSD2 150/4885
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM4E 15/4885MAPT 2977/4885NSD2 150/4885

“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.