SCHEMBL3319192

SCHEMBL3319192

Cn1cnc2c(N(NC(=O)OC(C)(C)C)C3CCCCC3)nc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.43
YTHDC1 Q96MU7 2/20 0.38
PIK3CD O00329 1/20 0.36
NT5E P21589 2/20 0.35
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
TMIGD3 P0DMS9 3/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL3320009 0.86 CDK1 (0.41) CDK1
SCHEMBL3315815 0.85 CDK1 (0.39) CDK1
SCHEMBL3318331 0.84 YTHDC1 (0.53) YTHDC1NT5EHTR2CHTR2BTMIGD3
SCHEMBL8128251 0.84 CDK1 (0.37) CDK1YTHDC1PIK3CDNT5EHTR2C
SCHEMBL3322465 0.83 YTHDC1 (0.54) YTHDC1NT5EHTR2CHTR2BTMIGD3
SCHEMBL3174582 0.78 STK17B (0.44) KMT2AL3MBTL1
SCHEMBL3168722 0.77 STK17B (0.45) KMT2AL3MBTL1
SCHEMBL8135722 0.77 CTSS (0.41) PIK3CD
SCHEMBL3169517 0.76 STK17B (0.38) KMT2AL3MBTL1
SCHEMBL8140037 0.76 CDK1 (0.36) CDK1CCNE1CDK2ADORA1

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 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-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

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 CDK1 787/4885YTHDC1 3386/4885PIK3CD 2895/4885

“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.