SCHEMBL6028546

SCHEMBL6028546

CCOC(C(=O)NCc1ccc(C#N)cc1OCC(N)=O)N1C=C2C=CC(=O)C(C)=C2C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.33
MGLL Q99685 1/20 0.33
ENPP2 Q13822 2/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6028353 0.87 P2RX7 (0.33) ENPP2
Acetic Acid SCHEMBL6027976 0.85 F10 (0.43) F10
SCHEMBL6028074 0.80 SLC1A2 (0.34) ENPP2
SCHEMBL6028010 0.76 JAK2 (0.35) F10MGLLENPP2JAK2JAK1
SCHEMBL6030782 0.76 F10 (0.35) F10MGLLENPP2JAK2JAK1
SCHEMBL6077622 0.76 F10 (0.35) F10MGLLENPP2JAK2JAK1
SCHEMBL6028367 0.74 ST14 (0.39) F10
SCHEMBL6031012 0.73 LMNA (0.36) F10MGLLENPP2JAK2JAK1
SCHEMBL6077767 0.73 LMNA (0.36) F10MGLLENPP2JAK2JAK1
SCHEMBL6028490 0.69 ENPP2 (0.33) MGLLENPP2JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 F10 8/4885MGLL 2550/4885ENPP2 47/4885

“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.