SCHEMBL3343101

SCHEMBL3343101

Nc1n[nH]c2ccc(-c3cc(-c4cccc(OC=O)c4)[nH]c(=O)n3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.48
JAK2 O60674 6/20 0.45
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 4/20 0.44
GSK3B P49841 3/20 0.44
CSNK2A1 P68400 3/20 0.44
AURKB Q96GD4 3/20 0.44
PIM1 P11309 2/20 0.44
MAPK13 O15264 2/20 0.44
DAPK3 O43293 2/20 0.44
CDK1 P06493 2/20 0.44
FGFR1 P11362 2/20 0.44
CDK2 P24941 2/20 0.44
MAPK1 P28482 2/20 0.44
FLT4 P35916 2/20 0.44
CSNK1D P48730 2/20 0.44
MAPKAPK2 P49137 2/20 0.44
GSK3A P49840 2/20 0.44
RPS6KA3 P51812 2/20 0.44
MAPK12 P53778 2/20 0.44

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
SCHEMBL3341933 0.88 KDM4E (0.54) CDC7JAK2ROCK2ROCK1GSK3B
SCHEMBL3338536 0.83 CDC7 (0.51) CDC7JAK2ROCK2ROCK1GSK3B
SCHEMBL383302 0.83 CDC7 (0.62) CDC7JAK2ROCK2ROCK1GSK3B
Hydrochloric Acid SCHEMBL383449 0.82 CDC7 (0.61) CDC7JAK2ROCK2ROCK1GSK3B
SCHEMBL3340296 0.80 CDC7 (0.49) CDC7JAK2ROCK2ROCK1GSK3B
SCHEMBL3338793 0.74 PIM1 (0.50) CDC7JAK2ROCK2ROCK1GSK3B
SCHEMBL3340105 0.73 CDC7 (0.52) CDC7JAK2ROCK2ROCK1GSK3B
SCHEMBL14338781 0.72 CDC7 (0.64) CDC7ROCK2ROCK1GSK3BCSNK2A1
SCHEMBL3338667 0.71 CDC7 (0.47) CDC7JAK2ROCK2ROCK1GSK3B
SCHEMBL5427424 0.71 CDC7 (0.61) CDC7ROCK2ROCK1GSK3BCSNK2A1

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-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 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-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK2A2, CSNK1A1 CDC7 532/4885JAK2 23/4885ROCK2 754/4885

“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.