SCHEMBL4964593

SCHEMBL4964593

N=C(NCN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.44
KMT2A Q03164 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
C1S P09871 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8141954 0.77 GAA (0.41) F2F10F12F7F3
SCHEMBL6397389 0.77 F2 (0.41) F2F10F12F7F3
SCHEMBL21129520 0.77 F2 (0.41) F2F10F12F7F3
SCHEMBL456940 0.76 THRB (0.54) PKMKMT2AGAAMAPTMEN1
Hydrochloric Acid SCHEMBL28552304 0.76 BLM (0.43) F2F10F12F7F3
SCHEMBL5728635 0.74 ABAT (0.47) BLMKMT2AGAAMAPTKDM4E
SCHEMBL3557897 0.73 F2 (0.52) F2F10F12F7F3
SCHEMBL948542 0.73 GAA (0.68) PRSS1RECQLGAAMAPTHPGD
SCHEMBL17826872 0.72 MAOA (0.39) F2F10F12F7F3
Hydrochloric Acid SCHEMBL11625721 0.72 ABAT (0.46) BLMKMT2AGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105744966-A ANTI-THROMBOTIC MATERIAL 东丽株式会社 2016-07-06 CN disclosed
US-7449446-B2 Combination product comprising melagatran and dexamethasone ASTRAZENECA AB (SE) 2008-11-11 US disclosed
US-20080113960-A1 Combinations comprising a low molecular weight thrombin inhibitor and a prodrug of a low molecular weight thrombin inhibitor ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1886691-A2 A pharmaceutical formulation comprising a low molecular weight thrombin inhibitor and its prodrug AstraZeneca AB (SE) 2008-02-13 EP disclosed
EP-1200118-B1 A PHARMACEUTICAL FORMULATION COMPRISING MEGALATRAN AND ITS PRODRUG ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20060287249-A1 Crystalline forms ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1196431-B1 A SUBSTANTIALLY CRYSTALLINE FORM OF MELAGATRAN ASTRAZENECA AB (SE) 2006-09-13 EP disclosed
EP-1294395-B1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND A FACTOR VIIa INHIBITOR ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
EP-1294394-B1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND A FACTOR Xa INHIBITOR ASTRAZENECA AB (SE) 2006-04-12 EP disclosed
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes ASTRAZENECA AB (SE) 2006-04-06 US disclosed
US-6440939-B2 THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-08-27 US disclosed
WO-2002051445-A2 AN ORAL AND PARENTERAL PHARMACEUTICAL FORMULATION COMPRISING A LOW MOLECULAR WEIGHT THROMBIN INHIBITOR PRODRUG ABBOTT GMBH & CO. KG (DE) 2002-07-04 WO disclosed
EP-1200118-A1 A PHARMACEUTICAL FORMULATION COMPRISING A LOW MOLECULAR WEIGHT THROMBIN INHIBITOR AND ITS PRODRUG AstraZeneca AB (SE) 2002-05-02 EP disclosed
EP-1196431-A1 A SUBSTANTIALLY CRYSTALLINE FORM OF MELAGATRAN AstraZeneca AB (SE) 2002-04-17 EP disclosed
US-20010023244-A1 New crystalline forms ASTRA AKTIEBOLAG 2001-09-20 US disclosed
EP-1107980-A1 CRYSTALLINE FORMS OF EtO 2?C-CH 2?-($i(R))Cgl-Aze-Pab-OH AstraZeneca AB (SE) 2001-06-20 EP disclosed
US-6225287-B1 INHIBITION OF THROMBIN; EASE OF HANDLING; IMPROVED CHEMICAL AND SOLID STATE STABILITY; CRYSTALLISED IN GOOD YIELDS, HIGHER PURITY, IN LESS TIME, MORE CONVENIENTLY, AND AT A LOWER COST, ASTRA AKTIEBOLAG (SE) 2001-05-01 US disclosed
WO-2001002426-A1 A SUBSTANTIALLY CRYSTALLINE FORM OF MELAGATRAN ASTRAZENECA AB (SE) 2001-01-11 WO disclosed
WO-2000064470-A1 A PHARMACEUTICAL FORMULATION COMPRISING A LOW MOLECULAR WEIGHT THROMBIN INHIBITOR AND ITS PRODRUG ASTRAZENECA AB (SE) 2000-11-02 WO disclosed
WO-2000014110-A1 CRYSTALLINE FORMS OF EtO2C-CH2-(R)Cgl-Aze-Pab-OH ASTRAZENECA AB (SE) 2000-03-16 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 (1 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-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes O60361, KCNH1, WNT3A F2 120/4885F10 1149/4885F12 339/4885

“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.