SCHEMBL16631324

SCHEMBL16631324

CCc1cn(-c2cn(C)c(=O)nc2N)nn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.34
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
AMY1A P0DUB6 1/20 0.32
NOTUM Q6P988 4/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL18080391 0.82 IRAK4 (0.32) EP300ROCK1CLK4RXRAGRIN1
SCHEMBL16631911 0.82 KCNMA1 (0.46) ROCK1NOTUM
SCHEMBL16631322 0.81 LRRK2 (0.42) NOTUM
SCHEMBL16631326 0.77 EGLN2 (0.36)
SCHEMBL18081748 0.75 EP300 (0.40) EP300
SCHEMBL12369680 0.75 RXRA (0.38) ROCK1CLK4RXRAGRIN1GRIN2B
SCHEMBL16631907 0.74 BCHE (0.49)
SCHEMBL12369693 0.74 RXRA (0.40) ROCK1CLK4RXRAGRIN1GRIN2B
SCHEMBL18081899 0.72 CA9 (0.35) RXRAGRIN1GRIN2BAMY1ANOTUM
SCHEMBL16631389 0.72 NOTUM (0.37) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 EP300 4033/4885ROCK1 4080/4885CLK4 4018/4885

“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.