SCHEMBL16033875

SCHEMBL16033875

N#Cc1ccnc(-c2nc[nH]c2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ MAP3K14 Q99558 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32

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
SCHEMBL17604548 0.81 NPY5R (0.38) NPY5RKCNH2MAP3K14KDM4CGRM5
SCHEMBL16095272 0.76 NPY5R (0.35) NPY5RKCNH2
SCHEMBL29500425 0.75 NPY5R (0.45) NPY5RKCNH2KDM4CGRM5METAP2
SCHEMBL9792784 0.75 NPY5R (0.45) NPY5RKCNH2KDM4CGRM5METAP2
SCHEMBL17604545 0.75 NPY5R (0.37) NPY5RKCNH2MAP3K14KDM4CGRM5
SCHEMBL16094450 0.74 NPY5R (0.34) NPY5RKCNH2USP30
SCHEMBL29761043 0.74 CDC7 (0.47) CDC7DBF4
SCHEMBL16100266 0.72 IDH1 (0.36) NPY5RKCNH2KDM4CGRM5CDC7
SCHEMBL17604615 0.72 NPY5R (0.44) NPY5RKCNH2
SCHEMBL16095604 0.71 KDM4C (0.36) NPY5RKCNH2KDM4CGRM5METAP2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 — — EP disclosed
EP-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 — — EP disclosed
US-10273222-B2 Histone demethylase inhibitors CELGENE QUANTSCEL RESEARCH, INC. (US) 2019-04-30 — — US disclosed
US-10273222-B2 Histone demethylase inhibitors CELGENE QUANTSCEL RESEARCH, INC. (US) 2019-04-30 — — US disclosed
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 — — US disclosed
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 — — US disclosed
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 — — US disclosed
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — US disclosed
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — US disclosed
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — US disclosed
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 — — US disclosed
EP-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
US-9133166-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-09-15 — — US disclosed
US-9133166-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-09-15 — — US disclosed
US-9133166-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-09-15 — — US disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-18 — — US disclosed
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-18 — — US disclosed
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-18 — — 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 (4 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-10273222-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B NPY5R 4106/4885KCNH2 3026/4885MAP3K14 2049/4885
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B NPY5R 4106/4885KCNH2 3026/4885MAP3K14 2049/4885
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B NPY5R 4106/4885KCNH2 3026/4885MAP3K14 2049/4885
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B NPY5R 4106/4885KCNH2 3026/4885MAP3K14 2049/4885

“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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