SCHEMBL5432014

SCHEMBL5432014

O=c1cc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.67
CLK2 P49760 2/20 0.67
GSK3B P49841 2/20 0.67
CDK5 Q00535 2/20 0.67
DYRK1A Q13627 2/20 0.67
CLK4 Q9HAZ1 2/20 0.67
FGFR1 P11362 2/20 0.67
MAPK13 O15264 1/20 0.67
DAPK3 O43293 1/20 0.67
ROCK2 O75116 1/20 0.67
PRKD3 O94806 1/20 0.67
MAP4K4 O95819 1/20 0.67
CDK1 P06493 1/20 0.67
PIM1 P11309 1/20 0.67
RPS6KB1 P23443 1/20 0.67
CDK2 P24941 1/20 0.67
MAPK1 P28482 1/20 0.67
FLT4 P35916 1/20 0.67
CSNK1A1 P48729 1/20 0.67
CSNK1D P48730 1/20 0.67

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
SCHEMBL5435525 0.86 CDC7 (0.70) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL5416571 0.84 CDC7 (0.70) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL14338803 0.81 CDK5 (0.47) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL2455100 0.81 GSK3B (1.00) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL385584 0.80 CDC7 (1.00) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL5429874 0.80 GSK3B (0.56) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL14338804 0.79 CDC7 (0.51) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL14350910 0.79 GSK3B (0.54) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL5418891 0.76 TRPA1 (0.51) CDC7CLK2GSK3BCDK5DYRK1A
SCHEMBL6756097 0.75 TAS2R38 (0.60) MAPK1

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 6 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
US-20070293491-A1 INDAZOLE COMPOUNDS AND METHODS FOR INHIBITION OF CDC7 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-12-20 US disclosed
US-20070293491-A1 INDAZOLE COMPOUNDS AND METHODS FOR INHIBITION OF CDC7 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-12-20 US disclosed
US-20070293491-A1 INDAZOLE COMPOUNDS AND METHODS FOR INHIBITION OF CDC7 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-12-20 US disclosed
WO-2007124288-A1 INDAZOLE COMPOUNDS AND METHODS FOR INHIBITION OF CDC7 NOVARTIS AG (CH) 2007-11-01 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 (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-20070293491-A1 INDAZOLE COMPOUNDS AND METHODS FOR INHIBITION OF CDC7 CDC7, CDC37, CDC73 CDC7 1/4885CLK2 884/4885GSK3B 1106/4885
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK2A2, CSNK1A1 CDC7 532/4885CLK2 51/4885GSK3B 422/4885

“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.