SCHEMBL4253448

SCHEMBL4253448

CCOC(=O)C(CC)c1ccnn(Cc2csc(C)n2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
FEN1 P39748 1/20 0.39
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 3/20 0.37
PDE10A Q9Y233 1/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MPI P34949 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
SCHEMBL4256502 0.81 FEN1 (0.39) FEN1THRBKMT2AALDH1A1KDM4E
SCHEMBL8213161 0.80 AURKA (0.35) JAK1TYK2FEN1AURKAAURKB
SCHEMBL4256751 0.78 ALDH1A1 (0.47) KMT2AALDH1A1MEN1KDM4EPOLB
SCHEMBL13619962 0.78 FEN1 (0.35) JAK1TYK2FEN1AURKAAURKB
SCHEMBL4253012 0.76 CASP3 (0.35) FEN1AURKAAURKB
SCHEMBL4256005 0.76 LMNA (0.38) THRBPKMKMT2AALDH1A1KDM4E
SCHEMBL4252764 0.76 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM4EPOLB
SCHEMBL4257857 0.76 NPBWR1 (0.45) KMT2AALDH1A1MEN1KDM4EPOLB
SCHEMBL4252839 0.75 NPBWR1 (0.47) THRBKMT2AALDH1A1MEN1MAPT
SCHEMBL4256493 0.75 NPBWR1 (0.52) KMT2AMAPTHPGDLMNA

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
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 JAK1 3662/4885TYK2 1445/4885FEN1 450/4885

“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.