SCHEMBL15422005

SCHEMBL15422005

O=C(NC1CC1)[C@H]1CCCN(c2ccnc3cnc4[nH]ccc4c23)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.60
JAK1 P23458 6/20 0.42
JAK2 O60674 3/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ROCK1 Q13464 2/20 0.41
CDC42BPB Q9Y5S2 2/20 0.41
AKT2 P31751 1/20 0.40
TYK2 P29597 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BTK Q06187 2/20 0.40
DOT1L Q8TEK3 2/20 0.39
IDE P14735 1/20 0.39
ROCK2 O75116 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
PDPK1 O15530 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
SCHEMBL12696600 1.00 PBK (0.60) PBKJAK1JAK2GAATSHR
SCHEMBL15421894 1.00 PBK (0.60) PBKJAK1JAK2GAATSHR
SCHEMBL12613697 0.94 PBK (0.52) PBKJAK1JAK2HSD17B10AKT2
SCHEMBL12612828 0.91 PBK (0.52) PBKROCK1CDC42BPBBTKDOT1L
SCHEMBL15422242 0.90 PBK (0.58) PBKJAK1JAK2ROCK1CDC42BPB
SCHEMBL12613950 0.88 AKT2 (0.48) PBKJAK1JAK2HSD17B10AKT2
SCHEMBL12613579 0.88 PBK (0.56) PBKJAK1JAK2TSHRROCK1
SCHEMBL12613358 0.88 PBK (0.52) PBKJAK1JAK2GAATSHR
SCHEMBL15421991 0.87 PBK (0.58) PBKJAK1JAK2GAATSHR
SCHEMBL12612084 0.87 PBK (0.48) PBKJAK1JAK2BTKDOT1L

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 9 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
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 US 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-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 16/4885JAK1 2/4885JAK2 5/4885

“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.