SCHEMBL12612971

SCHEMBL12612971

O=C(O)C1CCN(c2ccnc3cnc4[nH]ccc4c23)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.53
AKT2 P31751 1/20 0.45
NOTUM Q6P988 7/20 0.44
NUDT1 P36639 2/20 0.41
JAK3 P52333 3/20 0.39
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
TYK2 P29597 1/20 0.39
DYRK1A Q13627 2/20 0.38

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
SCHEMBL12613697 0.88 PBK (0.52) PBKAKT2NUDT1JAK3JAK1
SCHEMBL12612703 0.86 PBK (0.44) PBKNOTUMJAK3JAK1JAK2
SCHEMBL12613466 0.86 PBK (0.50) PBKAKT2JAK3JAK1JAK2
SCHEMBL12614108 0.85 PBK (0.46) PBKAKT2NUDT1JAK3JAK1
SCHEMBL12612734 0.85 JAK3 (0.48) AKT2JAK3JAK1JAK2DYRK1A
SCHEMBL15421896 0.84 AKT2 (0.48) PBKAKT2NUDT1JAK3JAK1
SCHEMBL12612274 0.84 AKT2 (0.48) PBKAKT2NUDT1JAK3JAK1
SCHEMBL12613117 0.84 JAK1 (0.54) PBKJAK3JAK1JAK2TYK2
SCHEMBL19292290 0.84 PBK (0.47) PBKAKT2NUDT1JAK3JAK1
SCHEMBL12613878 0.84 PBK (0.47) PBKAKT2JAK3JAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP claimed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US claimed
EP-2688890-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2014-01-29 EP claimed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US claimed
WO-2012127506-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-27 WO claimed
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP disclosed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US disclosed
EP-2688890-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2014-01-29 EP disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US disclosed
WO-2012127506-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2012-09-27 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-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF MALT1, JAK1, ICOS PBK 16/4885AKT2 1913/4885NOTUM 3564/4885

“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.