SCHEMBL3254956

SCHEMBL3254956

NS(=O)(=O)c1cccc(Nc2nccc(-c3c[nH]nc3-c3ccc4c(c3)OCO4)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 4/20 0.52
▸ DYRK1B Q9Y463 4/20 0.52
▸ CLK1 P49759 3/20 0.52
▸ DYRK1A Q13627 3/20 0.52
▸ CLK2 P49760 2/20 0.52
▸ IKBKB O14920 1/20 0.51
▸ EPHB4 P54760 1/20 0.51
▸ CDK1 P06493 10/20 0.49
▸ MTOR P42345 7/20 0.49
▸ CDK2 P24941 7/20 0.49
▸ SMG1 Q96Q15 6/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ CDK9 P50750 5/20 0.48
▸ CCNT1 O60563 4/20 0.48
▸ CCNB1 P14635 4/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PIK3CA P42336 1/20 0.46

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
SCHEMBL3255872 0.84 DYRK1A (0.54) CLK4DYRK1BCLK1DYRK1ACLK2
SCHEMBL3255280 0.83 IKBKB (0.53) CLK4DYRK1BIKBKBEPHB4CDK1
SCHEMBL3254964 0.81 CDK9 (0.55) CLK4DYRK1BIKBKBCDK1MTOR
SCHEMBL3251254 0.81 CDK9 (0.55) CLK4DYRK1BIKBKBCDK1MTOR
SCHEMBL3256489 0.80 CLK1 (0.49) CLK4DYRK1BCLK1DYRK1ACLK2
SCHEMBL3254612 0.78 CLK1 (0.53) CLK4DYRK1BCLK1DYRK1ACLK2
SCHEMBL3255412 0.73 IKBKB (0.59) IKBKBCDK1CDK2CDK9CCNT1
SCHEMBL14423375 0.72 SYK (0.65) IKBKBEPHB4CDK1MTORCDK2
SCHEMBL13382571 0.72 KDM4E (0.47) CLK4DYRK1BCLK1DYRK1ACLK2
SCHEMBL7524252 0.71 CDK1 (0.69) IKBKBCDK1MTORCDK2SMG1

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-1521749-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 — — EP claimed
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 — — EP claimed
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 — — US claimed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 — — US claimed
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 — — EP claimed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 — — WO claimed
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 — — EP disclosed
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 — — US disclosed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 — — 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 (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-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH CLK4 1505/4885DYRK1B 1308/4885CLK1 2739/4885

“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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