SCHEMBL3247848

SCHEMBL3247848

CN1CCC(COc2cccc(Nc3nccc(-c4c[nH]nc4-c4ccc(Cl)cc4)n3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 3/20 0.58
PIK3CA P42336 4/20 0.46
PIK3CG P48736 4/20 0.46
PIK3CB P42338 3/20 0.46
PRKCA P17252 1/20 0.44
MAPK14 Q16539 1/20 0.44
SYK P43405 1/20 0.44
IKBKB O14920 1/20 0.43
MAPK8 P45983 1/20 0.42
KCNH2 Q12809 1/20 0.42
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
SCN9A Q15858 1/20 0.41
ACVR1 Q04771 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
SCHEMBL3254348 0.93 AIMP2 (0.49) AIMP2PIK3CAPIK3CGPIK3CBMAPK14
SCHEMBL3254613 0.90 PIK3CA (0.47) AIMP2PIK3CAPIK3CGPIK3CBMAPK14
SCHEMBL3264121 0.89 SYK (0.49) AIMP2SYKSCN9AJAK2HDAC1
SCHEMBL3256070 0.88 AIMP2 (0.59) AIMP2PIK3CAPIK3CGPIK3CBPRKCA
SCHEMBL3255253 0.82 PIK3CG (0.67) AIMP2PIK3CAPIK3CGPIK3CBPRKCA
SCHEMBL3252685 0.82 FLT3 (0.62) AIMP2SYKIKBKBCDK1CCNB1
SCHEMBL3391948 0.82 AIMP2 (0.51) AIMP2PIK3CAPIK3CGPIK3CBMAPK14
SCHEMBL3249693 0.82 JAK2 (0.59) AIMP2SYKCDK1CCNB1CCNE1
SCHEMBL3278430 0.80 CXCR1 (0.40) AIMP2MAPK14IKBKBMAPK8KCNH2
SCHEMBL3253037 0.79 AIMP2 (0.55) AIMP2PIK3CAPIK3CGPIK3CBACVR1

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 AIMP2 385/4885PIK3CA 76/4885PIK3CG 330/4885

“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.