SCHEMBL5500170

SCHEMBL5500170

CN1CCN(Cc2ccc(C(=O)NN(CC(C)(C)C)c3ccnc(C#N)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.58
CTSL P07711 2/20 0.58
CTSS P25774 2/20 0.58
CTSB P07858 1/20 0.58
TBK1 Q9UHD2 6/20 0.46
HDAC6 Q9UBN7 1/20 0.46
IKBKE Q14164 4/20 0.45
GPR4 P46093 1/20 0.42
ALK Q9UM73 1/20 0.41
MAPK14 Q16539 1/20 0.40
BTK Q06187 1/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PDGFRA P16234 1/20 0.39
SYK P43405 1/20 0.39

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 SCHEMBL3317688 0.95 CTSK (0.54) CTSKCTSLCTSSCTSBTBK1
SCHEMBL8270035 0.93 CTSK (0.51) CTSKCTSLCTSSCTSBTBK1
SCHEMBL8270732 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBHDAC6
SCHEMBL5790992 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBTBK1
SCHEMBL8270522 0.90 CTSK (0.51) CTSKCTSLCTSSCTSBTBK1
SCHEMBL8270031 0.88 CTSK (0.72) CTSKCTSLCTSSCTSBTBK1
SCHEMBL5791397 0.88 CTSK (0.48) CTSKCTSLCTSSCTSB
Trifluoroacetic Acid SCHEMBL5794393 0.86 CTSK (0.44) CTSKCTSLCTSSCTSBHDAC6
Trifluoroacetic Acid SCHEMBL5791678 0.85 CTSK (0.47) CTSKCTSLCTSSCTSBTBK1
SCHEMBL8270467 0.85 CTSK (0.48) CTSKCTSLCTSSCTSBGPR4

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 7 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
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
EP-1972630-A1 Purines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-09-24 EP disclosed
US-20070232586-A1 Hydrazino-Substituted Heterocyclic Nitrile Compounds and Use Thereof OHMOTO KAZUYUKI 2007-10-04 US disclosed
EP-1739081-A1 HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-03 EP disclosed
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 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-20070232586-A1 Hydrazino-Substituted Heterocyclic Nitrile Compounds and Use Thereof CTRL, PRSS1, CTSZ CTSK 66/4885CTSL 135/4885CTSS 9/4885
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP CTSK 135/4885CTSL 31/4885CTSS 37/4885

“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.