SCHEMBL147192

SCHEMBL147192

[c]1sc2cc(-c3ccccc3)ccc2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.38
PIK3CA P42336 2/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALOX5 P09917 1/20 0.35
JAK2 O60674 2/20 0.35
F9 P00740 2/20 0.35
DHFR P00374 1/20 0.34
ALK Q9UM73 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2956882 0.80 GPR3 (0.37) ALDH1A1TNKS2LMNAHTT
SCHEMBL146620 0.80 TNKS2 (0.39) LIMK1PIK3CAPI4KAPI4KBALOX5
SCHEMBL145596 0.80 ESR2 (0.43) LIMK1PIK3CAPI4KAPI4KBALOX5
SCHEMBL694894 0.78 KIF11 (0.43) ALDH1A1ESR1
SCHEMBL694752 0.76 KIF11 (0.40) LIMK1PIK3CAPI4KAPI4KBALOX5
SCHEMBL12562737 0.71 LIMK1 (0.51) LIMK1PIK3CAPI4KAPI4KBALOX5
SCHEMBL10110898 0.71 LIMK1 (0.51) LIMK1PIK3CAPI4KAPI4KBALOX5
SCHEMBL689312 0.69 TRIM58 (0.41) LIMK1PIK3CAPI4KAPI4KBALOX5
SCHEMBL695407 0.69 TRIM58 (0.41) LIMK1PIK3CAPI4KAPI4KBALOX5
SCHEMBL23555670 0.68 LIMK1 (0.57) LIMK1PIK3CAPI4KAPI4KBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP claimed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US claimed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP claimed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO claimed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 US claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP disclosed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO disclosed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 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 (3 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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL LIMK1 4407/4885PIK3CA 1614/4885PI4KA 2041/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL LIMK1 4407/4885PIK3CA 1614/4885PI4KA 2041/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA LIMK1 4068/4885PIK3CA 1517/4885PI4KA 2017/4885

“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.