SCHEMBL3255253

SCHEMBL3255253

COc1cccc(Nc2nccc(-c3c[nH]nc3-c3ccc(Cl)cc3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.67
PIK3CA P42336 7/20 0.67
PIK3CB P42338 7/20 0.67
PRKCA P17252 1/20 0.53
GSK3B P49841 4/20 0.52
CDK2 P24941 3/20 0.52
DYRK1A Q13627 2/20 0.52
CDK4 P11802 1/20 0.52
JAK2 O60674 2/20 0.52
EGFR P00533 2/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
CDK5 Q00535 1/20 0.51
AIMP2 Q13155 1/20 0.51
PTK2B Q14289 1/20 0.49
PTGS2 P35354 1/20 0.48
MTOR P42345 1/20 0.48
SMG1 Q96Q15 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
SCHEMBL3250514 0.91 PIK3CG (0.63) PIK3CGPIK3CAPIK3CBGSK3BCDK2
SCHEMBL3255150 0.88 PIK3CG (0.59) PIK3CGPIK3CAPIK3CBPRKCAGSK3B
SCHEMBL3249570 0.85 JAK2 (0.54) PIK3CGPIK3CAPIK3CBPRKCAGSK3B
SCHEMBL3255217 0.85 PIK3CA (0.58) PIK3CGPIK3CAPIK3CBGSK3BCDK2
SCHEMBL3252211 0.83 CDK2 (0.73) PIK3CGPIK3CAPIK3CBPRKCACDK2
SCHEMBL3257741 0.83 PIK3CG (0.56) PIK3CGPIK3CAPIK3CBPRKCAGSK3B
SCHEMBL3253915 0.83 PRKCA (0.47) PIK3CGPIK3CAPIK3CBPRKCAEGFR
SCHEMBL3247848 0.82 AIMP2 (0.58) PIK3CGPIK3CAPIK3CBPRKCAGSK3B
SCHEMBL27553674 0.81 PIK3CG (0.51) PIK3CGPIK3CAPIK3CBPRKCAGSK3B
SCHEMBL3252685 0.81 FLT3 (0.62) GSK3BCDK2CDK4JAK2CLK4

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 10 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
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-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 EP disclosed
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
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 EP disclosed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 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-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH PIK3CG 330/4885PIK3CA 76/4885PIK3CB 305/4885

“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.