SCHEMBL3256080

SCHEMBL3256080

CC(Oc1cccc(Nc2nccc(-c3cn(C)nc3-c3ccc(Cl)cc3)n2)c1)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.52
AIMP2 Q13155 1/20 0.47
BRD4 O60885 2/20 0.46
PRKCA P17252 1/20 0.46
PIK3CA P42336 4/20 0.45
PIK3CG P48736 4/20 0.45
PIK3CB P42338 3/20 0.45
CAMK2D Q13557 1/20 0.43
MAPK14 Q16539 1/20 0.41
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5921359 0.94 ACVR1 (0.52) ACVR1AIMP2BRD4PIK3CAPIK3CG
SCHEMBL3253915 0.88 PRKCA (0.47) ACVR1AIMP2BRD4PRKCAPIK3CA
SCHEMBL3253041 0.85 PIK3CG (0.53) ACVR1AIMP2BRD4PRKCAPIK3CA
SCHEMBL3257961 0.80 ABL1 (0.47) ACVR1BRD4PRKCAPIK3CAPIK3CG
SCHEMBL3256070 0.80 AIMP2 (0.59) ACVR1AIMP2PRKCAPIK3CAPIK3CG
SCHEMBL3254615 0.78 PIK3CA (0.48) ACVR1BRD4PIK3CAPIK3CGPIK3CB
SCHEMBL3255225 0.76 PIK3CG (0.52) ACVR1AIMP2BRD4PRKCAPIK3CA
SCHEMBL3253037 0.74 AIMP2 (0.55) ACVR1AIMP2PIK3CAPIK3CGPIK3CB
SCHEMBL3391948 0.73 AIMP2 (0.51) ACVR1AIMP2PIK3CAPIK3CGPIK3CB
SCHEMBL3254269 0.73 PIK3CG (0.57) PIK3CAPIK3CGPIK3CB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ACVR1 1522/4885AIMP2 385/4885BRD4 102/4885

“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.