SCHEMBL21068989

SCHEMBL21068989

Cc1nc(C(N)=O)c(C)n1-c1ccc2nn(C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAOA P21397 3/20 0.37
▸ MAOB P27338 3/20 0.37
▸ GRM5 P41594 5/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MAT2A P31153 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34

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
SCHEMBL28539657 0.82 KDM4E (0.43) KDM1AKDM4EMAOAMAOBNOTUM
SCHEMBL28201512 0.72 MAOA (0.54) KDM4EMAOAMAOBNOTUMALDH1A1
SCHEMBL16063426 0.72 CNR1 (0.54) KDM4EGRM5ADORA2AADORA1ALDH1A1
SCHEMBL1079479 0.72 PIK3R2 (0.51) GRM5NOTUMMAPTGAAPIK3R2
Hydrochloric Acid SCHEMBL28856319 0.71 MAOA (0.53) KDM4EMAOAMAOBNOTUMALDH1A1
SCHEMBL1080644 0.71 HTR2A (0.49) KDM4EALDH1A1
SCHEMBL21066932 0.71 KDM4E (0.44) KDM4EMAOAMAOBNOTUMALDH1A1
SCHEMBL1077899 0.70 GRM5 (0.59) GRM5ALDH1A1MAPTGAA
SCHEMBL30334651 0.69 KDM4E (0.50) KDM4EMAOAMAOBNOTUMALDH1A1
Formic Acid SCHEMBL30427064 0.68 MAOA (0.50) KDM4EMAOAMAOBNOTUMALDH1A1

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 KDM1A 2/4885KDM4E 15/4885MAOA 415/4885
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885KDM4E 15/4885MAOA 415/4885

“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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