SCHEMBL3250562

SCHEMBL3250562

CN(C)CCOc1ccc(Nc2nccc(-c3c[nH]nc3-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.56
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
CDK2 P24941 2/20 0.44
CDK4 P11802 1/20 0.44
RET P07949 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MET P08581 1/20 0.42
RIPK2 O43353 1/20 0.42
ACVR1 Q04771 1/20 0.42
NOD2 Q9HC29 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
ESR1 P03372 1/20 0.41
PLK1 P53350 1/20 0.41
ACHE P22303 1/20 0.41
AGER Q15109 1/20 0.41
EIF2AK2 P19525 1/20 0.41
CLK1 P49759 1/20 0.41

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
SCHEMBL3253886 0.92 IKBKB (0.57) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3254699 0.91 RIPK2 (0.52) IKBKBPIK3CAPIK3CBPIK3CGRET
SCHEMBL3254962 0.90 IKBKB (0.54) IKBKBPIK3CAPIK3CBPIK3CGRET
SCHEMBL3249541 0.90 IKBKB (0.55) IKBKBPIK3CAPIK3CBPIK3CGCDK4
SCHEMBL3255627 0.89 MET (0.54) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3256344 0.88 IKBKB (0.54) IKBKBCDK2RETABL1BCR
SCHEMBL3253351 0.85 IKBKB (0.51) IKBKBPIK3CAPIK3CBPIK3CGRET
SCHEMBL3247819 0.83 RIPK2 (0.51) IKBKBPIK3CAPIK3CBPIK3CGRET
SCHEMBL3252603 0.82 RET (0.49) IKBKBCDK4RETMETRIPK2
SCHEMBL3254603 0.81 AIMP2 (0.51) PIK3CAPIK3CBPIK3CGHRH3ACVR1

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 8 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
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 IKBKB 442/4885PIK3CA 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.