SCHEMBL3313617

SCHEMBL3313617

CC(C)(C)CN(c1ccnc(C#N)n1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.58
GPR4 P46093 2/20 0.40
FGFR4 P22455 1/20 0.36
GPR119 Q8TDV5 1/20 0.33
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL3320226 0.86 CTSK (0.47) CTSKGPR4FGFR4GPR119CTSS
SCHEMBL3316066 0.81 GPR4 (0.37) CTSKGPR4
SCHEMBL8270653 0.80 CTSK (0.67) CTSKGPR4FGFR4GPR119OPRM1
SCHEMBL5792733 0.80 CTSK (0.52) CTSKGPR4FGFR4GPR119OPRM1
SCHEMBL5791035 0.76 CTSK (0.45) CTSKGPR4FGFR4GPR119
SCHEMBL8268758 0.75 CTSK (0.60) CTSKGPR4FGFR4GPR119CTSS
SCHEMBL5794380 0.74 FGFR4 (0.41) CTSKGPR4FGFR4GPR119CTSS
SCHEMBL3315262 0.73 CTSK (0.61) CTSKGPR4FGFR4
SCHEMBL6219623 0.73 CTSK (0.71) CTSKGPR4FGFR4
SCHEMBL5793805 0.73 CTSK (0.52) CTSKGPR4FGFR4GPR119CTSS

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
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP 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
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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 (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 CTSK 135/4885GPR4 4360/4885FGFR4 4192/4885

“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.