SCHEMBL3254615

SCHEMBL3254615

CC(Oc1ccc(Nc2nccc(-c3c[nH]nc3-c3ccc(Cl)cc3)n2)cc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
BRD4 O60885 3/20 0.46
IKBKB O14920 5/20 0.45
CHUK O15111 2/20 0.45
MAPK14 Q16539 2/20 0.40
CDK2 P24941 2/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
EIF2AK2 P19525 2/20 0.39
ACVR1 Q04771 1/20 0.38
AKT1 P31749 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL3253915 0.90 PRKCA (0.47) PIK3CAPIK3CBPIK3CGBRD4IKBKB
SCHEMBL3257961 0.83 ABL1 (0.47) PIK3CAPIK3CBPIK3CGBRD4MAPK14
SCHEMBL3254449 0.81 KCNH2 (0.55) IKBKBCHUKCDK2CDK1CCNB1
SCHEMBL3256080 0.78 ACVR1 (0.52) PIK3CAPIK3CBPIK3CGBRD4MAPK14
SCHEMBL3254613 0.77 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGBRD4IKBKB
SCHEMBL3250570 0.77 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGIKBKBCDK2
SCHEMBL3253033 0.77 MEN1 (0.54) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL3250562 0.76 IKBKB (0.56) PIK3CAPIK3CBPIK3CGIKBKBCDK2
SCHEMBL3272632 0.76 IKBKB (0.56) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL3254699 0.75 RIPK2 (0.52) PIK3CAPIK3CBPIK3CGIKBKBACVR1

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 PIK3CA 76/4885PIK3CB 305/4885PIK3CG 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.