SCHEMBL3313875

SCHEMBL3313875

CN(C)CCn1cnc2c(N(NC(=O)c3cccc(-c4ccc(CN5CCN(C)CC5)cc4)n3)C3CCCCC3)nc(C#N)nc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.42
CTSS P25774 7/20 0.42
CTSK P43235 7/20 0.42
CTSB P07858 3/20 0.38
PRKAA2 P54646 1/20 0.35
EZH2 Q15910 1/20 0.34
EZH1 Q92800 1/20 0.34
PARP1 P09874 2/20 0.33
MAPK14 Q16539 1/20 0.33
AXL P30530 2/20 0.32
MERTK Q12866 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 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
SCHEMBL3319377 0.99 CTSL (0.41) CTSLCTSSCTSKCTSBPRKAA2
SCHEMBL3319155 0.96 CTSL (0.41) CTSLCTSSCTSKCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL3319154 0.96 CTSS (0.39) CTSLCTSSCTSKCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL3315963 0.95 CTSS (0.38) CTSLCTSSCTSKCTSBPRKAA2
Trifluoroacetic Acid SCHEMBL3319193 0.92 CTSL (0.38) CTSLCTSSCTSKCTSBPRKAA2
SCHEMBL3316265 0.92 CTSL (0.40) CTSLCTSSCTSKCTSBMAPK14
SCHEMBL3317211 0.91 CTSL (0.39) CTSLCTSSCTSKCTSBMAPK14
SCHEMBL8136868 0.90 PARP1 (0.36) EZH2EZH1PARP1MAPK14AXL
SCHEMBL3318004 0.90 CTSS (0.40) CTSLCTSSCTSKCTSBPRKAA2
SCHEMBL8135253 0.90 PARP1 (0.36) EZH2EZH1PARP1MAPK14AXL

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 8 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 claimed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP claimed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO claimed
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
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 CTSL 31/4885CTSS 37/4885CTSK 135/4885

“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.