SCHEMBL48986

SCHEMBL48986

CNCc1ccc(C(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.57
PRSS2 P07478 5/20 0.57
PRSS3 P35030 5/20 0.57
LOXL2 Q9Y4K0 2/20 0.57
F10 P00742 1/20 0.57
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
ST14 Q9Y5Y6 3/20 0.48
F2 P00734 3/20 0.48
TMPRSS6 Q8IU80 1/20 0.48
PLG P00747 1/20 0.47
C1S P09871 1/20 0.47
LMNA P02545 1/20 0.46
MASP2 O00187 1/20 0.46
PLAU P00749 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL10925472 0.85 F2 (0.76) PRSS1PRSS2PRSS3ST14F2
SCHEMBL20880153 0.84 PRSS1 (0.53) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL20880131 0.80 NOS1 (0.44) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL15373362 0.80 ST14 (0.62) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL13714812 0.80 PRSS1 (0.53) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL2717268 0.80 PRSS1 (0.70) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL22872694 0.79 NOS1 (0.52) LOXL2NOS3NOS1NOS2LMNA
SCHEMBL10211024 0.79 PRSS1 (0.57) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL3882642 0.79 PLA2G10 (0.57) LOXL2NOS3NOS1NOS2
SCHEMBL16181585 0.79 NOS1 (0.52) PRSS1LOXL2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
EP-3466961-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Li, Min (US) 2019-04-10 EP disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-9434760-B2 Prolinamide derivatives as thrombin inhibitors, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-09-06 US disclosed
EP-2824097-A1 Prolinamide derivative as thrombin inhibitor, preparation method and application thereof Shanghai Institute of Pharmaceutical Industry (CN) 2015-01-14 EP disclosed
EP-2349312-B1 N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC PHILIPPS UNIVERSITÄT MARBURG (DE) 2014-06-04 EP disclosed
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-11-07 US disclosed
EP-2639230-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2013-09-18 EP disclosed
WO-2013029182-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2013-03-07 WO disclosed
US-8129547-B2 Anticoagulation of human blood ex vivo HELLSTERN PETER (DE) 2012-03-06 US disclosed
US-8129547-B2 Anticoagulation of human blood ex vivo HELLSTERN PETER (DE) 2012-03-06 US disclosed
US-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo HELLSTERN PETER 2010-11-04 US disclosed
US-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo HELLSTERN PETER 2010-11-04 US disclosed
EP-1355674-B1 OLIGO ALKYLENE GLYCOL OR POLYALKYLENE GLYCOL-COUPLED THROMBIN INHIBITORS JENAFFIN GMBH (DE) 2010-10-27 EP disclosed
US-7407982-B2 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2008-08-05 US disclosed
US-7407982-B2 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2008-08-05 US disclosed
WO-2007085461-A2 ANTICOAGULATION OF HUMAN BLOOD EX VIVO STÜRZEBECHER, Uta (DE) 2007-08-02 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 (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-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF PREP, TFPI, PEPD PRSS1 36/4885PRSS2 78/4885PRSS3 115/4885
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 PRSS1 2685/4885PRSS2 2842/4885PRSS3 2974/4885
US-20100280412-A1 Anticoagulation Of Human Blood Ex Vivo F5, TFPI, F11 PRSS1 350/4885PRSS2 328/4885PRSS3 185/4885

“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.