SCHEMBL17604545

SCHEMBL17604545

Cc1nc(-c2cc(C#N)ccn2)c(Br)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 9/20 0.37
▸ KCNH2 Q12809 5/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ GRM5 P41594 4/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.32
▸ TDO2 P48775 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
SCHEMBL17604614 0.77 MAPK14 (0.46) NPY5RKCNH2
SCHEMBL16095271 0.77 NPY5R (0.34) NPY5RKCNH2METAP2METAP1USP30
SCHEMBL16094449 0.76 USP30 (0.36) NPY5RKCNH2METAP2METAP1USP30
SCHEMBL16094913 0.76 MAPK14 (0.39) METAP2METAP1KDM4C
SCHEMBL16095288 0.75 KMT2A (0.43) —
SCHEMBL16033875 0.75 NPY5R (0.38) NPY5RKCNH2METAP2METAP1GRM5
SCHEMBL16095603 0.72 LMNA (0.38) METAP2METAP1KDM4C
SCHEMBL16095454 0.72 MAPK14 (0.41) NPY5RKCNH2KDM4C
SCHEMBL9792784 0.72 NPY5R (0.45) NPY5RKCNH2METAP2METAP1GRM5
SCHEMBL29500425 0.72 NPY5R (0.45) NPY5RKCNH2METAP2METAP1GRM5

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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