SCHEMBL3340489

SCHEMBL3340489

CCCOc1ccccc1-c1cc(-c2ccc3[nH]nc(N)c3c2)cc(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
TYK2 P29597 4/20 0.43
JAK3 P52333 4/20 0.43
JAK1 P23458 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
ROCK2 O75116 4/20 0.41
MAP4K4 O95819 4/20 0.41
CDK2 P24941 4/20 0.41
CLK4 Q9HAZ1 4/20 0.41
PLK4 O00444 3/20 0.41
DAPK3 O43293 3/20 0.41
DYRK3 O43781 3/20 0.41
CDK1 P06493 3/20 0.41
MARK3 P27448 3/20 0.41
CLK2 P49760 3/20 0.41
CDK5 Q00535 3/20 0.41
PRKCD Q05655 3/20 0.41
ROCK1 Q13464 3/20 0.41
DYRK1A Q13627 3/20 0.41
PKN2 Q16513 3/20 0.41

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
SCHEMBL3341458 0.87 JAK2 (0.44) JAK2TYK2JAK3JAK1PIK3C3
SCHEMBL3343878 0.85 CDC7 (0.44) JAK2TYK2JAK3JAK1ROCK2
SCHEMBL3341445 0.78 GCGR (0.43) PIK3C3DYRK1APDE5APDE4APDE4B
SCHEMBL3339626 0.74 XDH (0.44) JAK2TYK2JAK3JAK1ROCK2
SCHEMBL3340105 0.73 CDC7 (0.52) JAK2TYK2JAK3JAK1ROCK2
SCHEMBL31240458 0.72 CHUK (0.51) JAK2TYK2JAK3JAK1CLK2
SCHEMBL3343353 0.72 CDC7 (0.42) JAK2TYK2JAK3JAK1ROCK2
SCHEMBL12907236 0.70 ALOX5AP (0.55) JAK2TYK2JAK3JAK1ROCK2
SCHEMBL3340548 0.69 PIM1 (0.42) JAK2TYK2JAK3JAK1ROCK2
SCHEMBL3339927 0.69 PIM1 (0.46) ROCK2MAP4K4CDK2CLK4DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP claimed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US claimed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US claimed
EP-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP claimed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO claimed
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
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
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
EP-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 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-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK2A2, CSNK1A1 JAK2 23/4885TYK2 22/4885JAK3 46/4885

“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.