SCHEMBL15919372

SCHEMBL15919372

NCC(=O)Nc1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc2ccncc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 12/20 0.54
ACP1 P24666 2/20 0.46
KCNH2 Q12809 1/20 0.43
PDE10A Q9Y233 1/20 0.43
DYRK1A Q13627 1/20 0.43
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL15919375 0.86 MOK (0.45) MOKACP1KCNH2PDE10A
SCHEMBL15905202 0.85 KCNH2 (0.52) MOKACP1KCNH2DYRK1A
SCHEMBL15919371 0.83 ACP1 (0.46) MOKACP1KCNH2DYRK1A
SCHEMBL15919600 0.78 KCNH2 (0.56) MOKACP1KCNH2DYRK1A
SCHEMBL15905232 0.75 ACP1 (0.41) MOKACP1KCNH2DYRK1A
SCHEMBL3713020 0.73 PIK3CD (0.41) DYRK1A
SCHEMBL3714557 0.72 HDAC3 (0.47) DYRK1A
SCHEMBL3718099 0.72 MMP2 (0.44)
SCHEMBL3721164 0.72 PARP1 (0.47) MOKKCNH2
SCHEMBL3713512 0.72 TBK1 (0.43) DYRK1ATBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MOK 4173/4885ACP1 2825/4885KCNH2 2250/4885

“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.