SCHEMBL7398443

SCHEMBL7398443

CN1CCN(c2ccc(-c3nc(N4CCCCC4C(=O)O)cs3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
CHEK1 O14757 4/20 0.40
TACR3 P29371 1/20 0.40
BRS3 P32247 1/20 0.37
APP P05067 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTPRF P10586 2/20 0.37
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
CYP3A4 P08684 1/20 0.37
ERG P11308 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MAP4K1 Q92918 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL7397206 0.88 TACR3 (0.45) CDK5CDK5R1IRAK4CHEK1TACR3
SCHEMBL7573098 0.78 SMN1; SMN2 (0.52)
SCHEMBL7579015 0.74 CTSS (0.44) CYP3A4
SCHEMBL13471715 0.70 APP (0.49) CDK5CDK5R1IRAK4CHEK1TACR3
SCHEMBL7398285 0.69 SMN1; SMN2 (0.42)
SCHEMBL2562713 0.69 IRAK4 (0.56) CDK5CDK5R1IRAK4CHEK1TACR3
SCHEMBL2550980 0.68 IRAK4 (0.60) IRAK4CHEK1TACR3HDAC3HDAC8
SCHEMBL6789965 0.68 ALDH1A1 (0.40)
SCHEMBL4702327 0.67 CTSK (0.47)
SCHEMBL2555433 0.64 IRAK4 (0.52) IRAK4CHEK1APPHDAC8PTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002080920-A1 ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-10-17 WO claimed
US-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
WO-2002080920-A1 ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-10-17 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-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors SERPINB1, SPINT2, PRSS1 CDK5 648/4885CDK5R1 626/4885IRAK4 1783/4885

“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.