SCHEMBL4039681

SCHEMBL4039681

CCCC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
KDM1A O60341 1/20 0.39
CTSS P25774 5/20 0.38
CTSL P07711 3/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
ADRB1 P08588 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
CCR1 P32246 2/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSV O60911 1/20 0.35
CTSB P07858 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL4041022 0.92 CTSK (0.59) CTSKKDM1ACTSSCTSLTDP1
SCHEMBL4039424 0.89 CTSK (0.41) CTSKKDM1ACTSSCTSLPREP
SCHEMBL4053535 0.89 CTSK (0.59) CTSKCTSSCTSLPREPFAP
SCHEMBL4037909 0.88 CTSK (0.55) CTSKCTSSCTSLPREPFAP
SCHEMBL4045269 0.87 CTSK (0.51) CTSKCTSSCTSL
SCHEMBL4041007 0.87 CTSK (0.51) CTSKCTSSCTSLPREPFAP
SCHEMBL4044295 0.87 CTSK (0.66) CTSKCTSSCTSLPREPFAP
SCHEMBL4041248 0.87 CTSK (0.55) CTSKCTSSCTSLPREPFAP
SCHEMBL4045224 0.86 CTSK (0.42) CTSKKDM1ACTSSCTSLPREP
SCHEMBL4040591 0.86 CTSK (0.53) CTSKKDM1ACTSSCTSLPREP

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 6 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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP 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 3980/4885CTSS 3/4885

“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.