SCHEMBL7397206

SCHEMBL7397206

CN1CCN(c2ccc(-c3nc(-c4ccc(N5CCCCC5C(=O)O)cc4)cs3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.45
CHEK1 O14757 3/20 0.43
PTPRF P10586 3/20 0.43
PTPN2 P17706 3/20 0.43
PTPN1 P18031 3/20 0.43
BRS3 P32247 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ATP4A P20648 3/20 0.38
ATP4B P51164 3/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7398443 0.88 CDK5 (0.43) TACR3CHEK1PTPRFPTPN2PTPN1
SCHEMBL7573098 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL7398285 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL29654111 0.70 HTR2A (0.51) CHEK1CDK5CDK5R1SMN1; SMN2ALDH1A1
SCHEMBL2559636 0.69 RAB9A (0.64) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL13471715 0.68 APP (0.49) TACR3CHEK1IRAK4CDK5CDK5R1
SCHEMBL7369256 0.68 HTR2A (0.56) CHEK1SMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL2558958 0.68 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2562713 0.68 IRAK4 (0.56) TACR3CHEK1IRAK4CDK5CDK5R1
SCHEMBL12797799 0.68 PTPRF (0.60) PTPRFPTPN2PTPN1SMN1; SMN2ALDH1A1

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-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-10-24 US claimed
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 TACR3 4259/4885CHEK1 1948/4885PTPRF 1899/4885

“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.