SCHEMBL3754183

SCHEMBL3754183

NCc1ccc(N=C(N)N)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.72
NOS1 P29475 2/20 0.72
NOS2 P35228 2/20 0.72
ADRA2A P08913 4/20 0.71
ADRA2B P18089 4/20 0.71
ADRA2C P18825 4/20 0.71
POLB P06746 1/20 0.67
PLAU P00749 6/20 0.65
PRSS1 P07477 2/20 0.62
F2 P00734 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
SLC22A2 O15244 7/20 0.61
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
SLC22A1 O15245 6/20 0.54
SLC22A3 O75751 6/20 0.54
HTR3E A5X5Y0 3/20 0.54

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
SCHEMBL27685590 0.81 ADRA2A (0.71) NOS3NOS1ADRA2AADRA2BADRA2C
SCHEMBL16562419 0.79 PLAU (1.00) ADRA2AADRA2BADRA2CPOLBPLAU
SCHEMBL25147342 0.77 PLAU (0.73) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL2492526 0.77 ADRA2A (0.65) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL22623279 0.74 PLAU (0.62) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL27981476 0.74 NOS1 (0.62) NOS3NOS1NOS2ADRA2AADRA2B
SCHEMBL1738380 0.74 POLB (0.82) ADRA2AADRA2BADRA2CPOLBPLAU
SCHEMBL2202972 0.74 NOS3 (0.56) NOS3NOS1NOS2CA12CA1
SCHEMBL2202977 0.74 NOS3 (0.56) NOS3NOS1NOS2CA12CA1
SCHEMBL5447808 0.73 PLAU (0.66) NOS3NOS1NOS2ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103739589-A N- (2, 3-dihydrobenzo [ b ] thiopyran-4-imino) -N' - (4-methylphenyl) guanidine derivative and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-04-23 CN disclosed
US-8476306-B2 Urokinase inhibitors, production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-02 US disclosed
US-20110065799-A1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-03-17 US disclosed
US-7838560-B2 for the therapy, prophylaxis and diagnosis of a tumor; benzylsulfonyl-D-Ser-Glu-4-amidinobenzylamidexTFA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-11-23 US disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
US-20050176993-A1 Urokinase inhibitors, production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2005-08-11 US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
US-6831196-B2 Such as benzylsulfonyl-D-Ser-Gly-4-amidinobenzylamide, HCl salt; for treatment of malign tumors/metastatic spread CURACYTE AG (DE) 2004-12-14 US disclosed
US-20030166576-A1 Urokinase inhibitors WILEX AG (DE) 2003-09-04 US disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
CN-1374960-A novel integrin receptor antagonists BASF AG (DE) 2002-10-16 CN disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 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-20030166576-A1 Urokinase inhibitors PLAU, PLAUR, PLAT NOS3 3293/4885NOS1 3104/4885NOS2 3063/4885
US-20050176993-A1 Urokinase inhibitors, production and use thereof PLAU, PLAUR, SERPINE1 NOS3 2729/4885NOS1 2712/4885NOS2 2779/4885
US-20110065799-A1 UROKINASE INHIBITORS, PRODUCTION AND USE THEREOF PLAU, PLAUR, SERPINE1 NOS3 2729/4885NOS1 2712/4885NOS2 2779/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B NOS3 3942/4885NOS1 4672/4885NOS2 4593/4885

“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.