SCHEMBL8138703

SCHEMBL8138703

CN1CCN(Cc2ccc(C(=O)NN(CC3CCCC3)c3nc(C#N)nc4c3ncn4C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.54
CTSK P43235 7/20 0.54
CTSL P07711 6/20 0.54
CTSB P07858 1/20 0.54
HDAC6 Q9UBN7 1/20 0.40
TBK1 Q9UHD2 2/20 0.40
IKBKE Q14164 1/20 0.37
CHKA P35790 1/20 0.36
ITK Q08881 1/20 0.36
ABL1 P00519 2/20 0.35
BTK Q06187 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
Trifluoroacetic Acid SCHEMBL3323721 0.95 CTSS (0.49) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3318652 0.95 CTSS (0.51) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL8140039 0.94 CTSS (0.48) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3910878 0.94 CTSS (0.48) CTSSCTSKCTSLCTSBHDAC6
SCHEMBL3315776 0.94 CTSS (0.49) CTSSCTSKCTSLCTSBHDAC6
Trifluoroacetic Acid SCHEMBL3321781 0.91 CTSS (0.47) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL3915390 0.90 CTSS (0.45) CTSSCTSKCTSLCTSB
Trifluoroacetic Acid SCHEMBL3908562 0.90 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL3319175 0.90 CTSL (0.50) CTSSCTSKCTSLCTSBHDAC6
Trifluoroacetic Acid SCHEMBL3316013 0.89 CTSS (0.45) CTSSCTSKCTSLCTSB

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
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP CTSS 37/4885CTSK 135/4885CTSL 31/4885

“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.