SCHEMBL6028285

SCHEMBL6028285

CCOC(C(=O)NCc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1)n1ccc(-c2ccncc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKG2 Q13237 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
PRKG1 Q13976 1/20 0.36
PKN2 Q16513 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SGK2 Q9HBY8 1/20 0.36

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
SCHEMBL6077551 1.00 MAPK1 (0.36) MAPK1ROCK2RPS6KA5MAP4K4PRKCG
Acetic Acid SCHEMBL6027950 0.81 F2 (0.43) MASP2F2PPID
Hydrochloric Acid SCHEMBL6028851 0.79 F2 (0.49) MASP2F2
Hydrochloric Acid SCHEMBL6028051 0.79 F2 (0.49) MASP2F2
SCHEMBL6029699 0.78 GAA (0.39) TSHRALDH1A1GAAPLAU
Hydrochloric Acid SCHEMBL6031510 0.78 GAA (0.39) TSHRALDH1A1GAAPLAU
SCHEMBL6028536 0.75 NAMPT (0.42) MAPK1CYP3A4TSHRALDH1A1NAMPT
SCHEMBL6032447 0.75 NAMPT (0.42) MAPK1CYP3A4TSHRALDH1A1NAMPT
SCHEMBL6029257 0.73 TPSAB1 (0.34) GAAPLAU
Hydrochloric Acid SCHEMBL6028127 0.72 F2 (0.47) ALDH1A1MASP2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US claimed
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 MAPK1 940/4885ROCK2 3333/4885RPS6KA5 1238/4885

“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.