SCHEMBL13635711

SCHEMBL13635711

NCCC(N)c1cccc(-c2ccnc3[nH]ncc23)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 12/20 0.58
NUDT1 P36639 1/20 0.58
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKCD Q05655 1/20 0.50
ROCK1 Q13464 1/20 0.50
RPS6KB1 P23443 1/20 0.46
BRD4 O60885 1/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
TLR9 Q9NR96 1/20 0.44
CHEK1 O14757 1/20 0.42
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40

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
SCHEMBL9917926 0.88 PRKCQ (0.61) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917908 0.85 PRKCQ (0.53) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917934 0.85 PRKCQ (0.53) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917933 0.84 PRKCQ (0.54) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917927 0.84 NUDT1 (0.62) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917915 0.81 PRKCQ (0.59) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917925 0.79 NUDT1 (0.62) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917767 0.79 NUDT1 (0.58) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL10225006 0.77 NUDT1 (0.53) PRKCQNUDT1JAK2ROCK2PRKCD
SCHEMBL9917907 0.77 PRKCQ (0.53) PRKCQNUDT1JAK2ROCK2PRKCD

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-20090291937-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 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-20090291937-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885NUDT1 1351/4885JAK2 133/4885

“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.