SCHEMBL3345403

SCHEMBL3345403

Cc1cc(NCC2CCNCC2)ccc1-c1cc(-c2ccc3[nH]nc(C)c3c2)nc(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.40
▸ BRD4 O60885 2/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ PIM1 P11309 3/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ HTR6 P50406 4/20 0.36
▸ CDC7 O00311 3/20 0.35
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ TRIM58 Q8NG06 1/20 0.34

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
SCHEMBL4164789 0.88 AXL (0.39) ITKAXLCDC7DYRK1APAK1
SCHEMBL3345643 0.86 CDC7 (0.51) BRD4ATAD2PIM1PIM3CDC7
SCHEMBL3330960 0.84 PIM1 (0.51) BRD4ATAD2PIM1CSNK2A2CSNK2B
SCHEMBL3340007 0.83 CDC7 (0.40) ITKPIM1CSNK2A2CSNK2BPIM3
SCHEMBL3340582 0.77 PIM1 (0.41) PIM1CSNK2A2CSNK2BPIM3CDC7
SCHEMBL13305146 0.75 PIM1 (0.51) PIM1CSNK2A2CSNK2BPIM3CDC7
SCHEMBL3331234 0.75 PIM1 (0.50) PIM1CSNK2A2CSNK2BCDC7
SCHEMBL3331131 0.74 PIM1 (0.48) BRD4ATAD2PIM1CSNK2A2CSNK2B
SCHEMBL3340016 0.73 CDC7 (0.41) BRD4ATAD2PIM1CDC7CLK2
SCHEMBL5427424 0.70 CDC7 (0.61) PIM1CSNK2A2CSNK2BPIM3CDC7

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 16 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
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 ITK 495/4885BRD4 797/4885ATAD2 2200/4885

“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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