SCHEMBL12613697

SCHEMBL12613697

O=C(NC1CC1)C1CCN(c2ccnc3cnc4[nH]ccc4c23)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.52
AKT2 P31751 1/20 0.44
JAK1 P23458 8/20 0.43
JAK2 O60674 4/20 0.43
TYK2 P29597 1/20 0.41
CYP46A1 Q9Y6A2 3/20 0.41
JAK3 P52333 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NUDT1 P36639 1/20 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
SCHEMBL15421894 0.94 PBK (0.60) PBKAKT2JAK1JAK2TYK2
SCHEMBL12696600 0.94 PBK (0.60) PBKAKT2JAK1JAK2TYK2
SCHEMBL15422005 0.94 PBK (0.60) PBKAKT2JAK1JAK2TYK2
SCHEMBL12613950 0.94 AKT2 (0.48) PBKAKT2JAK1JAK2TYK2
SCHEMBL12613878 0.90 PBK (0.47) PBKAKT2JAK1JAK2TYK2
SCHEMBL19292290 0.88 PBK (0.47) PBKAKT2JAK1JAK2JAK3
SCHEMBL12612971 0.88 PBK (0.53) PBKAKT2JAK1JAK2TYK2
SCHEMBL12612828 0.87 PBK (0.52) PBK
SCHEMBL12613466 0.87 PBK (0.50) PBKAKT2JAK1JAK2TYK2
SCHEMBL12612688 0.86 JAK2 (0.48) AKT2JAK1JAK2JAK3ALDH1A1

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 13 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
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
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US disclosed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US 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 1913/4885JAK1 2/4885

“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.