SCHEMBL17604548

SCHEMBL17604548

N#Cc1ccnc(-c2nc[nH]c2CBr)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ KDM4C Q9H3R0 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ CES1 P23141 1/20 0.31

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
SCHEMBL16033875 0.81 NPY5R (0.38) NPY5RKCNH2METAP2METAP1KDM4C
SCHEMBL16100266 0.79 IDH1 (0.36) NPY5RKCNH2KDM4CCDC7DBF4
SCHEMBL17604615 0.79 NPY5R (0.44) NPY5RKCNH2HRH3
SCHEMBL16094914 0.78 HRH3 (0.36) NPY5RKCNH2METAP2METAP1KDM4C
SCHEMBL16100476 0.76 MAPK14 (0.41) NPY5RKCNH2CDC7DBF4HRH3
SCHEMBL16095290 0.76 DYRK1A (0.40) KDM4CGSK3B
SCHEMBL16095837 0.76 KDM4C (0.36) KCNH2KDM4CGRM5
SCHEMBL16095455 0.75 CYP19A1 (0.38) NPY5RKCNH2KDM4CHRH3
SCHEMBL16095353 0.74 NPY5R (0.35) NPY5RKCNH2KDM4C
SCHEMBL16095272 0.72 NPY5R (0.35) NPY5RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 — — US disclosed
EP-3193881-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — 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 (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-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B NPY5R 3750/4885KCNH2 2992/4885METAP2 2119/4885

“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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