SCHEMBL3256070

SCHEMBL3256070

CN1CCC(COc2cccc(Nc3nccc(-c4cn(C)nc4-c4ccc(Cl)cc4)n3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 3/20 0.59
ACVR1 Q04771 6/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
PRKCA P17252 1/20 0.45
IKBKB O14920 1/20 0.44
SYK P43405 1/20 0.43
MAPK14 Q16539 1/20 0.43
SCN9A Q15858 1/20 0.42
JAK2 O60674 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK8 P45983 1/20 0.41
KCNH2 Q12809 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
SCHEMBL3391948 0.94 AIMP2 (0.51) AIMP2ACVR1PIK3CAPIK3CBPIK3CG
SCHEMBL3247848 0.88 AIMP2 (0.58) AIMP2ACVR1PIK3CAPIK3CBPIK3CG
SCHEMBL3253037 0.86 AIMP2 (0.55) AIMP2ACVR1PIK3CAPIK3CBPIK3CG
SCHEMBL3254348 0.81 AIMP2 (0.49) AIMP2ACVR1PIK3CAPIK3CBPIK3CG
SCHEMBL3271487 0.80 JAK2 (0.61) AIMP2ACVR1SYKMAPK14JAK2
SCHEMBL3256080 0.80 ACVR1 (0.52) AIMP2ACVR1PIK3CAPIK3CBPIK3CG
SCHEMBL3264121 0.78 SYK (0.49) AIMP2SYKSCN9AJAK2HDAC1
SCHEMBL3254613 0.78 PIK3CA (0.47) AIMP2PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL3255220 0.76 AIMP2 (0.55) AIMP2PIK3CAPIK3CBPIK3CGPRKCA
SCHEMBL3255585 0.75 JAK2 (0.60) AIMP2ACVR1SYKMAPK14JAK2

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 7 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-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 385/4885ACVR1 1522/4885PIK3CA 76/4885

“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.