SCHEMBL383302

SCHEMBL383302

Nc1n[nH]c2ccc(-c3cc(-c4ccccc4)[nH]c(=O)n3)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 10/20 0.62
GSK3B P49841 4/20 0.62
CSNK2A1 P68400 3/20 0.62
AURKB Q96GD4 3/20 0.62
GSK3A P49840 3/20 0.62
PIM1 P11309 2/20 0.62
MAPK13 O15264 2/20 0.62
DAPK3 O43293 2/20 0.62
ROCK2 O75116 2/20 0.62
CDK1 P06493 2/20 0.62
FGFR1 P11362 2/20 0.62
CDK2 P24941 2/20 0.62
MAPK1 P28482 2/20 0.62
FLT4 P35916 2/20 0.62
CSNK1D P48730 2/20 0.62
MAPKAPK2 P49137 2/20 0.62
RPS6KA3 P51812 2/20 0.62
MAPK12 P53778 2/20 0.62
CDK5 Q00535 2/20 0.62
PRKAA1 Q13131 2/20 0.62

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
Hydrochloric Acid SCHEMBL383449 0.99 CDC7 (0.61) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL14338781 0.89 CDC7 (0.64) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL5427424 0.86 CDC7 (0.61) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL3338793 0.85 PIM1 (0.50) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL3341933 0.84 KDM4E (0.54) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL3343101 0.83 CDC7 (0.48) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL3340105 0.82 CDC7 (0.52) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL3338667 0.80 CDC7 (0.47) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL3338536 0.80 CDC7 (0.51) CDC7GSK3BCSNK2A1AURKBGSK3A
SCHEMBL3345441 0.79 CDC7 (0.53) CDC7GSK3BCSNK2A1AURKBGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US claimed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP claimed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US claimed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP claimed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO claimed
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-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 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 (2 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 532/4885GSK3B 422/4885CSNK2A1 1/4885
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 CDC7 536/4885GSK3B 648/4885CSNK2A1 1/4885

“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.