SCHEMBL695233

SCHEMBL695233

[c]1ccc2c(-c3ccccc3)ncnc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.62
JAK2 O60674 1/20 0.47
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
GRM4 Q14833 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
NUDT1 P36639 3/20 0.36
MAP4K4 O95819 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL694180 0.80 ADORA2A (0.39) ADORA2A
SCHEMBL715671 0.79 ADORA2A (0.72) ADORA2AJAK2PIK3CDPIK3CAPIK3CB
SCHEMBL29398384 0.77 ADORA2A (1.00) ADORA2AJAK2PIK3CDPIK3CAPIK3CB
SCHEMBL4640585 0.77 ADORA2A (1.00) ADORA2AJAK2PIK3CDPIK3CAPIK3CB
SCHEMBL31022155 0.76 ADORA2A (0.96) ADORA2AJAK2PIK3CDPIK3CAPIK3CB
SCHEMBL29986426 0.74 ADORA2A (0.92) ADORA2AJAK2PIK3CDPIK3CAPIK3CB
SCHEMBL15815414 0.74 ADORA2A (0.92) ADORA2AJAK2PIK3CDPIK3CAPIK3CB
Formaldehyde SCHEMBL28253268 0.73 ADORA2A (0.89) ADORA2AJAK2PIK3CDPIK3CAPIK3CB
SCHEMBL16719445 0.72 KDM4E (0.44) ADORA2AJAK2ALDH1A1KDM4EHPGD
SCHEMBL3058751 0.72 ACVR1 (0.47) JAK2PIK3CAGRM4ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 US disclosed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US disclosed
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS UNIVERSITÉ PARIS CITÉ (FR) 2017-08-24 US disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (6 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP ADORA2A 2920/4885JAK2 2399/4885PIK3CD 1838/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ADORA2A 2209/4885JAK2 1831/4885PIK3CD 2646/4885
US-20170239242-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS LIPA, MGLL, PNLIP ADORA2A 2920/4885JAK2 2399/4885PIK3CD 1838/4885
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP ADORA2A 2973/4885JAK2 2618/4885PIK3CD 1958/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ADORA2A 2209/4885JAK2 1831/4885PIK3CD 2646/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ADORA2A 2209/4885JAK2 1831/4885PIK3CD 2646/4885

“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.