SCHEMBL5475019

SCHEMBL5475019

CC(=O)OCCn1c(Cl)cnc(NCCC2CCCCN2C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
CHEK2 O96017 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
PDE8B O95263 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GRM5 P41594 3/20 0.34
KDM1A O60341 1/20 0.34
PRMT5 O14744 1/20 0.34
PDE7B Q9NP56 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SYK P43405 1/20 0.33

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
SCHEMBL5479364 0.91 CHEK2 (0.39) ATMCHEK2IRAK4PDE8BTRPV1
SCHEMBL5483612 0.90 ATM (0.39) ATMCHEK2IRAK4PDE8BTRPV1
SCHEMBL8294709 0.89 CHEK2 (0.36) ATMCHEK2IRAK4PDE8BTRPV1
SCHEMBL5479174 0.89 ATM (0.39) ATMCHEK2IRAK4PDE8BTRPV1
SCHEMBL5476115 0.87 F2 (0.36) IRAK4ALDH1A1SYK
SCHEMBL5476014 0.86 CHRNB2 (0.37) IRAK4ALDH1A1
SCHEMBL5483634 0.84 ATM (0.38) ATMCHEK2IRAK4PDE8BTRPV1
SCHEMBL5475212 0.83 ATM (0.37) ATMCHEK2IRAK4PDE8BTRPV1
SCHEMBL5478507 0.83 LTA4H (0.38) IRAK4GRM5ALDH1A1
SCHEMBL5479579 0.82 F2 (0.34) IRAK4GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 ATM 1490/4885CHEK2 2556/4885IRAK4 2954/4885

“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.