SCHEMBL15525933

SCHEMBL15525933

O=C1NCCOc2cc(C3CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.51
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HSD17B10 Q99714 2/20 0.35
AKR1A1 P14550 2/20 0.35
AKR1B1 P15121 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PARP10 Q53GL7 2/20 0.34

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
SCHEMBL1887176 0.78 FABP6 (0.77) FABP6GSK3BPARP10PARP11
SCHEMBL2061574 0.78 FABP6 (0.54) FABP6GSK3BALDH1A1MAPK1KDM4E
SCHEMBL15525841 0.78 FABP6 (0.54) FABP6GSK3BKDM4EPARP10PARP11
SCHEMBL2994247 0.78 MAOA (0.58) FABP6GSK3BALDH1A1L3MBTL1KDM4E
SCHEMBL12078170 0.78 PARP10 (0.54) FABP6GSK3BALDH1A1KDM4EHSD17B10
SCHEMBL10274616 0.78 ALDH1A1 (0.56) FABP6GSK3BALDH1A1HSD17B10GAA
SCHEMBL16976359 0.76 FABP6 (0.53) FABP6GSK3BALDH1A1KDM4EHSD17B10
SCHEMBL30895911 0.76 ALDH1A1 (0.57) FABP6ALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL30895870 0.76 ALDH1A1 (0.57) FABP6ALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL3064196 0.76 AKR1A1 (0.38) ALDH1A1MAPK1HSD17B10AKR1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042903-B1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD (IN) 2019-08-14 EP disclosed
EP-3042903-B1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD (IN) 2019-08-14 EP disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
EP-2838898-B1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-01-18 EP disclosed
EP-2838898-B1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-01-18 EP disclosed
EP-3042903-A1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof Advinus Therapeutics Limited (IN) 2016-07-13 EP disclosed
EP-3042903-A1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof Advinus Therapeutics Limited (IN) 2016-07-13 EP disclosed
US-9233983-B2 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2016-01-12 US disclosed
US-9233983-B2 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2016-01-12 US disclosed
US-9233983-B2 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2016-01-12 US disclosed
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof IMPETIS BIOSCIENCES LIMITED (IN) 2015-03-05 US disclosed
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof IMPETIS BIOSCIENCES LIMITED (IN) 2015-03-05 US disclosed
EP-2838898-A1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Advinus Therapeutics Limited (IN) 2015-02-25 EP disclosed
WO-2013157022-A1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 WO disclosed
WO-2013157022-A1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 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 (2 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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN FABP6 4854/4885GSK3B 280/4885ALDH1A1 4730/4885
US-20150064196-A1 Substituted Hetero-Bicyclic Compounds, Compositions and Medicinal Applications Thereof BTK, MALT1, LCK FABP6 3920/4885GSK3B 8/4885ALDH1A1 3997/4885

“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.