SCHEMBL4040494

SCHEMBL4040494

CCCC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
KDM1A O60341 1/20 0.37
ROCK2 O75116 1/20 0.36
GFER P55789 1/20 0.36
DNMT3B Q9UBC3 1/20 0.36
AHR P35869 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
ACE P12821 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR132 Q9UNW8 3/20 0.35
UBE2N P61088 1/20 0.34
F10 P00742 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34

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
SCHEMBL4040633 0.93 CTSK (0.48) CTSKROCK2GFERDNMT3BAHR
SCHEMBL4040649 0.90 CTSK (0.42) CTSKSMYD3ACEGPR132
SCHEMBL4044537 0.90 CTSK (0.41) CTSKKDM1AROCK2GFERAHR
SCHEMBL4046752 0.89 CTSK (0.40) CTSKSMYD3ACEGPR132
SCHEMBL4048150 0.89 CTSK (0.47) CTSK
SCHEMBL4045831 0.89 CTSK (0.51) CTSKSMYD3ACEGPR132KMT2A
SCHEMBL4041827 0.89 CTSK (0.43) CTSKSMYD3ACEGPR132
SCHEMBL4040654 0.88 CTSK (0.41) CTSKKDM1AROCK2GFERDNMT3B
SCHEMBL4038224 0.88 CTSK (0.44) CTSKSMYD3ACEGPR132
SCHEMBL4042752 0.88 CTSK (0.52) CTSKSMYD3ACEGPR132KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1853255-A4 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X PHARMACEUTICALS CANADA (CA) 2009-07-08 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1853255-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS Gemin X Biotechnologies Inc. (CA) 2007-11-14 EP disclosed
WO-2006089397-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-08-31 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885KDM1A 3980/4885ROCK2 4215/4885

“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.