SCHEMBL4254764

SCHEMBL4254764

CCCC(=O)NC(C(=O)CF)C(C(=O)OC(C)(C)C)c1ccnn(Cc2csc(C)n2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPRB P23467 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4253016 0.89 AURKA (0.34) GAAJAK1TYK2AURKAAURKB
SCHEMBL4253179 0.87
SCHEMBL4258922 0.82 TSHR (0.36) GAAALDH1A1
SCHEMBL4252758 0.80 MAOA (0.33) MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL4254759 0.76 BACE1 (0.32) JAK1TYK2AURKAAURKB
SCHEMBL13619962 0.73 FEN1 (0.35) GAAJAK1TYK2AURKAAURKB
SCHEMBL4250409 0.71 CRHBP (0.38) GAATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL4254527 0.71 PRSS1 (0.34) MAPT
SCHEMBL4253448 0.70 JAK1 (0.39) GAAJAK1TYK2AURKAAURKB
SCHEMBL4254518 0.70 ALDH1A1 (0.40) TP53MAPTALDH1A1SMN1; SMN2CYP1A2

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 GAA 1409/4885JAK1 3662/4885TYK2 1445/4885

“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.