SCHEMBL17414567

SCHEMBL17414567

CCOC(=O)c1nc(-c2ccc(C#N)cc2)n(-c2ccc(C)cc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
ELANE P08246 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
ALDH1A1 P00352 9/20 0.46
TARBP2 Q15633 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
KDM4E B2RXH2 7/20 0.44
HPGD P15428 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL17414568 0.84 KDM1A (0.59) KDM1AALDH1A1KDM4EHPGDGAA
SCHEMBL2681081 0.78 GABRA2 (0.58) SIRT2SIRT1ALDH1A1TARBP2NPC1
SCHEMBL24137357 0.77 KDM1A (0.74) KDM1AALDH1A1HPGDMAPT
SCHEMBL4589168 0.77 SIRT2 (0.65) ELANESIRT2SIRT1ALDH1A1NPC1
SCHEMBL17396132 0.74 KDM1A (0.49) KDM1AALDH1A1MAPT
SCHEMBL15004871 0.74 ALDH1A1 (0.66) ELANEALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL25328209 0.72 KDM4E (0.56) ELANEALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL29829285 0.71 SIRT2 (0.60) KDM1ASIRT2SIRT1ALDH1A1KDM4E
SCHEMBL26931778 0.71 SIRT2 (0.60) KDM1ASIRT2SIRT1ALDH1A1KDM4E
SCHEMBL25327527 0.71 ELANE (0.47) ELANEALDH1A1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
CN-106604997-B Inhibitors of lysine-specific demethylase-1 赛尔基因昆蒂赛尔研究公司 2021-02-19 CN disclosed
US-10626103-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626104-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626104-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626103-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-09-20 US disclosed
WO-2016004105-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 WO 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 (6 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-10626104-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ELANE 2215/4885SIRT2 499/4885
US-10414750-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ELANE 2215/4885SIRT2 499/4885
US-10626103-B2 Inhibitor of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ELANE 2293/4885SIRT2 519/4885
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ELANE 2293/4885SIRT2 519/4885
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ELANE 2215/4885SIRT2 499/4885
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KDM1A 2/4885ELANE 2215/4885SIRT2 499/4885

“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.