SCHEMBL12277372

SCHEMBL12277372

CC(C)c1c[nH]nc1-c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.43
ADORA1 P30542 10/20 0.43
ADORA3 P0DMS8 5/20 0.43
ADORA2B P29275 4/20 0.43
ECE1 P42892 1/20 0.35
PDPK1 O15530 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
ADRB2 P07550 2/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL12320484 0.77 ADORA2A (0.41) ADORA2AADORA1ADORA3ADORA2BECE1
SCHEMBL23701644 0.74 ADORA2A (0.44) ADORA2AADORA1ADORA3ADORA2BECE1
SCHEMBL12277712 0.70 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BECE1
SCHEMBL12277710 0.70 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BECE1
SCHEMBL3777152 0.69 ECE1 (0.46) ADORA2AADORA1ECE1PDPK1SMPD3
SCHEMBL24926667 0.68 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BECE1
SCHEMBL5785414 0.67 PDPK1 (0.37) ADORA2AADORA1ECE1PDPK1SMPD3
SCHEMBL6910076 0.67 PLK1 (0.40) ADORA2AADORA1ADORA3ADORA2BPDPK1
SCHEMBL20350315 0.67
SCHEMBL18415036 0.66 TYK2 (0.39) ADORA2AADORA1ADORA3ADORA2BPDPK1

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 4 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

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 ADORA2A 3335/4885ADORA1 1980/4885ADORA3 1659/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E ADORA2A 3299/4885ADORA1 1901/4885ADORA3 1601/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E ADORA2A 3299/4885ADORA1 1901/4885ADORA3 1601/4885

“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.