SCHEMBL577522

SCHEMBL577522

FC(F)(F)c1ccc2[nH][c]cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.43
METAP2 P50579 1/20 0.43
KDM4E B2RXH2 2/20 0.40
CYBB P04839 1/20 0.40
NOX3 Q9HBY0 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
BACE1 P56817 1/20 0.39
CHUK O15111 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPBWR1 P48145 1/20 0.37
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL700186 0.86 METAP2 (0.50) KIF11METAP2BACE1ALDH1A1HSD17B10
SCHEMBL9743673 0.85 KIF11 (0.44) KIF11NPBWR1
SCHEMBL7588186 0.71 BACE1 (0.56) KIF11METAP2KDM4EBACE1ALDH1A1
SCHEMBL438997 0.71 KIF11 (0.60) KIF11METAP2KDM4EHSD17B10
SCHEMBL4279163 0.71 KDM4E (0.46) KIF11KDM4EHSD17B10KMT2A
SCHEMBL12777894 0.68 KIF11 (0.44) KIF11METAP2KDM4EBACE1CHUK
SCHEMBL27290612 0.68 HRH4 (0.47) KIF11METAP2KDM4ECHUKMEN1
SCHEMBL376116 0.68 METAP2 (0.73) METAP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL317290 0.68 MAPT (0.56) KIF11METAP2KDM4EALDH1A1MEN1
SCHEMBL12895896 0.67 BACE1 (0.52) KIF11METAP2KDM4ECYBBNOX3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 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 (5 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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KIF11 4060/4885METAP2 571/4885KDM4E 1931/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KIF11 4060/4885METAP2 571/4885KDM4E 1931/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KIF11 4488/4885METAP2 181/4885KDM4E 3609/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KIF11 4488/4885METAP2 181/4885KDM4E 3609/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 KIF11 4488/4885METAP2 181/4885KDM4E 3609/4885

“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.