SCHEMBL3345643

SCHEMBL3345643

Cc1cc(NCC2CCNCC2)ccc1-c1cc(-c2ccc3[nH]ncc3c2)nc(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 10/20 0.51
▸ ROCK2 O75116 2/20 0.48
▸ PIM1 P11309 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ MAPK13 O15264 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ CSNK1D P48730 1/20 0.48
▸ MAPKAPK2 P49137 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ GSK3A P49840 1/20 0.48

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
SCHEMBL3345403 0.86 ITK (0.40) CDC7PIM1CLK2DYRK1APIM3
SCHEMBL3330960 0.84 PIM1 (0.51) CDC7PIM1GSK3BCSNK2A1DYRK1A
SCHEMBL4165570 0.83 ERN1 (0.42) CDC7ROCK2PIM1GSK3BAURKB
SCHEMBL3338706 0.83 CDC7 (0.59) CDC7ROCK2PIM1GSK3BAURKB
SCHEMBL5404817 0.76 POLB (0.48) ROCK2ROCK1ERN1
SCHEMBL3331234 0.75 PIM1 (0.50) CDC7PIM1GSK3BCSNK2A1PIK3CA
SCHEMBL3331131 0.75 PIM1 (0.48) CDC7PIM1GSK3BAURKBCSNK2A1
SCHEMBL4164789 0.74 AXL (0.39) CDC7GSK3BMAPK1DYRK1A
SCHEMBL3329768 0.70 BRD4 (0.38) PIM1PIM3BRD4ATAD2JAK2
SCHEMBL12628038 0.70 POLB (0.52) ROCK2MAPK1ROCK1ERN1

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 13 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-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 CDC7 532/4885ROCK2 754/4885PIM1 579/4885

“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.

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