SCHEMBL13619962

SCHEMBL13619962

CCC(C(=O)NC(C(=O)O)C(=O)CF)c1ccnn(Cc2csc(C)n2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
POLB P06746 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PDE5A O76074 1/20 0.32
MAPT P10636 2/20 0.31
PDE10A Q9Y233 1/20 0.31
KMT2A Q03164 2/20 0.31
SLC12A2 P55011 1/20 0.31
SLC12A5 Q9H2X9 1/20 0.31
ADAMTS7 Q9UKP4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK10 P53779 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
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
SCHEMBL4253012 0.88 CASP3 (0.35) FEN1AURKAAURKBSLC12A2SLC12A5
SCHEMBL8213161 0.83 AURKA (0.35) FEN1AURKAAURKBGRIN1GRIN2B
SCHEMBL4254759 0.82 BACE1 (0.32) AURKAAURKBPDE10AJAK1TYK2
SCHEMBL4253016 0.80 AURKA (0.34) FEN1AURKAAURKBGRIN1GRIN2B
SCHEMBL13619431 0.79 POLB (0.40) POLBMAPTKMT2AALDH1A1GAA
SCHEMBL4253448 0.78 JAK1 (0.39) FEN1AURKAAURKBPOLBGRIN1
SCHEMBL13619403 0.78 PTGDR2 (0.38) POLBMAPTKMT2APTGDR2
SCHEMBL13619190 0.78 KMT2A (0.39) POLBMAPTKMT2AALDH1A1GAA
SCHEMBL13619354 0.77 OPRL1 (0.33) KMT2AGAA
SCHEMBL13619963 0.76 NPBWR1 (0.42) POLBMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 FEN1 450/4885AURKA 481/4885AURKB 319/4885

“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.