SCHEMBL6910076

SCHEMBL6910076

CC(C)c1cn[nH]c1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.40
PLK2 Q9NYY3 5/20 0.40
PLK3 Q9H4B4 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
TLR9 Q9NR96 1/20 0.40
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
PDPK1 O15530 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADRB2 P07550 2/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 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
SCHEMBL12320572 0.77 CYP3A4 (0.37) PLK1PLK2PLK3TLR8TLR7
SCHEMBL28040212 0.67 ILK (0.44) TLR8TLR7TLR9ADORA2AADORA1
SCHEMBL12277693 0.67 TGFBR1 (0.55) CSNK1A1METAP1
SCHEMBL12277249 0.67 TSHR (0.35) ADORA3CNR1METAP1
SCHEMBL12277712 0.67 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BPDPK1
SCHEMBL12277372 0.67 ADORA2A (0.43) TLR8TLR7ADORA2AADORA1ADORA3
SCHEMBL10044886 0.66 PDPK1 (0.48) ADORA2AADORA1ADORA3ADORA2BPDPK1
SCHEMBL12277788 0.65 RPS6KA3 (0.47) AURKAPIM1PRKACAGSK3BRPS6KA3
SCHEMBL13729254 0.65 ADORA3 (0.47) TLR8TLR7TLR9ADORA2AADORA1
SCHEMBL21958446 0.64

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 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 (3 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E PLK1 1/4885PLK2 23/4885PLK3 92/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PLK1 2/4885PLK2 18/4885PLK3 76/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E PLK1 2/4885PLK2 18/4885PLK3 76/4885

“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.