SCHEMBL4039075

SCHEMBL4039075

CCCC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.49
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HPGDS O60760 1/20 0.38
CTSS P25774 3/20 0.38
CTSL P07711 2/20 0.38
PREP P48147 2/20 0.37
FAP Q12884 1/20 0.37
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
HTR2A P28223 1/20 0.37
CCR1 P32246 1/20 0.36
TACR3 P29371 1/20 0.36
DPP4 P27487 1/20 0.35
CHRM4 P08173 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
SCHEMBL4042374 0.92 CTSK (0.59) CTSKHPGDSCTSSCTSL
SCHEMBL4043434 0.91 CTSK (0.48) CTSKHPGDSCTSSCTSLPREP
SCHEMBL4043220 0.91 CTSK (0.48) CTSKHPGDSCTSSCTSLPREP
SCHEMBL4053535 0.89 CTSK (0.59) CTSKCTSSCTSLPREPFAP
SCHEMBL4042679 0.88 CTSK (0.40) CTSKSLC6A2SLC6A4SLC6A3HPGDS
SCHEMBL4037909 0.88 CTSK (0.55) CTSKCTSSCTSLPREPFAP
SCHEMBL4045453 0.88 CTSK (0.56) CTSKCTSSCTSLPREPFAP
SCHEMBL4044295 0.87 CTSK (0.66) CTSKCTSSCTSLPREPFAP
SCHEMBL4041248 0.87 CTSK (0.55) CTSKCTSSCTSLPREPFAP
SCHEMBL4040591 0.86 CTSK (0.53) CTSKCTSSCTSLPREPFAP

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-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
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
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (2 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-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CTSK 1338/4885SLC6A2 3796/4885SLC6A4 2379/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885SLC6A2 3770/4885SLC6A4 3074/4885

“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.