SCHEMBL3315262

SCHEMBL3315262

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.61
GPR4 P46093 2/20 0.45
FGFR4 P22455 1/20 0.34
KMO O15229 1/20 0.33
HRH4 Q9H3N8 2/20 0.32

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
SCHEMBL3316538 0.79 CTSK (0.45) CTSKGPR4FGFR4KMOHRH4
SCHEMBL8269389 0.76 CTSK (0.39) CTSKGPR4
SCHEMBL8270653 0.75 CTSK (0.67) CTSKGPR4FGFR4
SCHEMBL3451395 0.75 CTSK (0.80) CTSKGPR4
SCHEMBL3450495 0.75 CTSK (0.74) CTSKGPR4
SCHEMBL13125028 0.74 CTSK (0.78) CTSKGPR4
SCHEMBL3450123 0.74 CTSK (1.00) CTSKGPR4
SCHEMBL13125033 0.74 CTSK (0.78) CTSKGPR4
SCHEMBL5793805 0.73 CTSK (0.52) CTSKGPR4FGFR4
SCHEMBL3313617 0.73 CTSK (0.58) CTSKGPR4FGFR4

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 12 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
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-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
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-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
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.