SCHEMBL3236207

SCHEMBL3236207

Cc1cc(N)c2cc(C(=O)Nc3ccc(CN)cc3)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.60
MMP9 P14780 4/20 0.58
MEN1 O00255 1/20 0.58
MMP1 P03956 1/20 0.58
ALOX15 P16050 1/20 0.58
BLM P54132 1/20 0.58
GNG2 P59768 1/20 0.58
GNB1 P62873 1/20 0.58
KMT2A Q03164 1/20 0.58
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
PLAT P00750 1/20 0.55
KLKB1 P03952 1/20 0.55
PRSS1 P07477 1/20 0.55

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
SCHEMBL3240190 0.93 MMP9 (0.65) OPRL1MMP9MEN1MMP1ALOX15
SCHEMBL5354568 0.92 MMP9 (0.68) MMP9MEN1MMP1ALOX15BLM
SCHEMBL3237103 0.88 MMP9 (0.64) MMP9MEN1MMP1ALOX15BLM
SCHEMBL3241944 0.83 DNMT1 (0.55) OPRL1MMP9MEN1MMP1ALOX15
SCHEMBL5848272 0.83 MMP9 (0.71) OPRL1MMP9MEN1MMP1ALOX15
SCHEMBL3245122 0.83 MMP9 (0.58) MMP9MEN1MMP1ALOX15BLM
SCHEMBL3242010 0.83 PLAU (0.58) MMP9MEN1MMP1ALOX15BLM
SCHEMBL3237800 0.82 MMP9 (0.60) MMP9MEN1MMP1ALOX15BLM
SCHEMBL3239642 0.82 MMP9 (0.59) MMP9MEN1MMP1ALOX15BLM
SCHEMBL3244101 0.82 MMP9 (0.57) MMP9MEN1MMP1ALOX15BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745443-B2 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-29 US disclosed
US-20070173489-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-26 US disclosed
US-7235558-B2 Inhibitors of the GPIb—vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP disclosed
EP-1509516-A1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE Aventis Pharma Deutschland GmbH (DE) 2005-03-02 EP disclosed
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-04-08 US disclosed
WO-2003104221-A1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-18 WO disclosed
EP-1369420-A1 Inhibitors of the GPib - vWF interaction Aventis Pharma Deutschland GmbH (DE) 2003-12-10 EP 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 (2 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-20070173489-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 OPRL1 1042/4885MMP9 872/4885MEN1 1943/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 OPRL1 1114/4885MMP9 946/4885MEN1 1700/4885

“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.