SCHEMBL12473231

SCHEMBL12473231

CN1CC(c2cnc3c(Nc4ccc5sccc5c4)nccn23)C=N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.34
▸ ADORA3 P0DMS8 9/20 0.33
▸ SYK P43405 1/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ CHRNA7 P36544 3/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ MAPKAPK5 Q8IW41 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
SCHEMBL14533966 0.79 AURKA (0.37) AURKAADORA3AURKB
SCHEMBL8426788 0.79 AURKA (0.35) AURKAADORA3MAPKAPK5
SCHEMBL8429587 0.78 ADORA3 (0.38) AURKAADORA3AURKBFLT3MAPKAPK5
SCHEMBL8427744 0.77 MAPKAPK5 (0.38) AURKAADORA3SYKMAPKAPK5
SCHEMBL14533910 0.76 AURKA (0.35) AURKAADORA3AURKB
SCHEMBL8426673 0.76 AURKA (0.56) AURKAADORA3SYKAURKB
SCHEMBL8427741 0.76 BRD4 (0.39) ADORA3SYK
SCHEMBL14534281 0.75 LRRK2 (0.40) —
SCHEMBL8241173 0.75 AURKA (0.60) AURKAAURKBFLT3MAPKAPK5
SCHEMBL8429895 0.74 PAK4 (0.42) AURKAADORA3AURKBFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2011-07-28 — — 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 (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-20110183933-A1 NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CHEK1, CDC25A AURKA 40/4885ADORA3 2455/4885SYK 2324/4885

“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.

Send feedback