SCHEMBL15919371

SCHEMBL15919371

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.46
HRH3 Q9Y5N1 4/20 0.42
JAK2 O60674 2/20 0.42
MOK Q9UQ07 3/20 0.42
DYRK1A Q13627 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR84 Q9NQS5 2/20 0.40
PARP1 P09874 1/20 0.39

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
SCHEMBL15905202 0.85 KCNH2 (0.52) ACP1JAK2MOKDYRK1AKCNH2
SCHEMBL15919372 0.83 MOK (0.54) ACP1MOKDYRK1AKCNH2
SCHEMBL15905232 0.79 ACP1 (0.41) ACP1JAK2MOKDYRK1AKCNH2
SCHEMBL3713224 0.77 JAK2 (0.41) HRH3JAK2
SCHEMBL15919600 0.77 KCNH2 (0.56) ACP1JAK2MOKDYRK1AKCNH2
SCHEMBL3713020 0.76 PIK3CD (0.41) DYRK1A
SCHEMBL3714490 0.76 HRH3 (0.47) HRH3JAK2DYRK1A
SCHEMBL15919703 0.75 ACHE (0.41)
SCHEMBL15919375 0.75 MOK (0.45) ACP1MOKKCNH2
SCHEMBL3721164 0.74 PARP1 (0.47) HRH3JAK2MOKKCNH2PARP1

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 ACP1 2825/4885HRH3 4559/4885JAK2 1017/4885

“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.