SCHEMBL2198992

SCHEMBL2198992

N=C(N)c1ccc(CNC=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.52
PRSS2 P07478 4/20 0.52
PRSS3 P35030 4/20 0.52
F10 P00742 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH7 P40394 1/20 0.52
ST14 Q9Y5Y6 4/20 0.48
F2 P00734 5/20 0.47
PLG P00747 1/20 0.47
C1S P09871 1/20 0.47
TMPRSS6 Q8IU80 2/20 0.44
PRMT5 O14744 1/20 0.44
PRMT1 Q99873 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3306120 0.83 ADH1B (0.53) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL14542686 0.81 ADH1B (0.52) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL21697134 0.80 ADH1B (0.50) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL7428912 0.80 PRSS1 (0.50) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL8763196 0.79 ADH1B (0.76) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL4720677 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL12085592 0.76 PRSS1 (0.56) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL1445807 0.76 PRSS1 (0.53) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL13714812 0.76 PRSS1 (0.53) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL1445939 0.75 PRSS1 (0.48) PRSS1PRSS2PRSS3F10LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658685-B2 Methods for treatment of kallikrein-related disorders ACTIVESITE PHARMACEUTICALS, INC. (US) 2014-02-25 US disclosed
EP-2051707-B1 INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS INC (US) 2013-07-17 EP disclosed
US-8258170-B2 Inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20110301215-A1 INHIBITORS OF PLASMA KALLIKREIN Activesite Phamaceuticals, Inc. (US) 2011-12-08 US disclosed
US-7977380-B2 Inhibitors of plasma kallikrein Activesite Pharmaceticals, Inc. (US) 2011-07-12 US disclosed
US-20110065757-A1 METHODS FOR TREATMENT OF KALLIKREIN-RELATED DISORDERS JOSKIN DIABETES CENTER (US) 2011-03-17 US disclosed
EP-2259679-A1 METHODS FOR TREATMENT OF KALLIKREIN-RELATED DISORDERS JOSLIN DIABETES CENTER (US) 2010-12-15 EP disclosed
US-20100130563-A1 INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7625944-B2 Inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
WO-2009097141-A1 METHODS FOR TREATMENT OF KALLIKREIN-RELATED DISORDERS JOSLIN DIABETES CENTER (US) 2009-08-06 WO disclosed
CN-101495468-A Inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS INC (US) 2009-07-29 CN disclosed
EP-2051707-A2 INHIBITORS OF PLASMA KALLIKREIN Activesite Pharmaceuticals, Inc. (US) 2009-04-29 EP disclosed
US-20080038276-A1 INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
WO-2008016883-A2 INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 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 (4 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-20110065757-A1 METHODS FOR TREATMENT OF KALLIKREIN-RELATED DISORDERS KLKB1, SERPINE1, KLK1 PRSS1 64/4885PRSS2 149/4885PRSS3 156/4885
US-20080038276-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 PRSS1 48/4885PRSS2 97/4885PRSS3 80/4885
US-20100130563-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 PRSS1 48/4885PRSS2 97/4885PRSS3 80/4885
US-20110301215-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 PRSS1 48/4885PRSS2 97/4885PRSS3 80/4885

“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.