SCHEMBL3339368

SCHEMBL3339368

CCc1cc(-c2cc(-c3ccccc3OCCOC)[nH]c(=O)n2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.46
PIM1 P11309 3/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 2/20 0.38
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CLK1 P49759 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
CXCL12 P48061 1/20 0.38
PDE5A O76074 4/20 0.37
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL383394 0.84 PIM1 (0.53) CDC7PIM1KDM4EALDH1A1HPGD
SCHEMBL385748 0.82 PIM1 (0.67) CDC7PIM1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL386384 0.81 PIM1 (0.66) CDC7PIM1KDM4EALDH1A1HPGD
SCHEMBL3340464 0.79 PIM1 (0.43) CDC7PIM1KDM4EALDH1A1HPGD
SCHEMBL385740 0.77 PIM1 (0.66) CDC7PIM1KDM4EALDH1A1HPGD
SCHEMBL3343878 0.77 CDC7 (0.44) CDC7PIM1KDM4EALDH1A1HPGD
SCHEMBL3340730 0.76 PIM1 (0.43) CDC7PIM1KDM4EGSK3BCSNK2A1
SCHEMBL3340466 0.76 PIM1 (0.43) CDC7PIM1KDM4EALDH1A1HPGD
SCHEMBL383588 0.76 PIM1 (0.70) CDC7PIM1KDM4EALDH1A1HPGD
SCHEMBL385518 0.74 PIM1 (0.67) CDC7PIM1KDM4EGSK3BCSNK2A1

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 9 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 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

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 532/4885PIM1 579/4885KDM4E 2062/4885

“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.