SCHEMBL3252186

SCHEMBL3252186

CN1CCN(c2ccc(Nc3nccc(-c4c[nH]nc4-c4cccc(Cl)c4)n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.55
GSK3B P49841 2/20 0.55
CCND3 P30281 1/20 0.55
EIF2AK2 P19525 1/20 0.55
JAK2 O60674 6/20 0.53
ACVR1 Q04771 1/20 0.53
CDK2 P24941 3/20 0.52
MAPKAPK2 P49137 1/20 0.52
KDR P35968 1/20 0.52
CCNE1 P24864 2/20 0.51
FLT3 P36888 2/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
MNAT1 P51948 1/20 0.51
PLK1 P53350 1/20 0.50
CAMK2D Q13557 3/20 0.49
MAPK1 P28482 1/20 0.49
MAP2K1 Q02750 1/20 0.49

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
SCHEMBL3250638 0.90 JAK2 (0.58) CDK4GSK3BEIF2AK2JAK2ACVR1
SCHEMBL3250434 0.89 EIF2AK2 (0.56) CDK4GSK3BEIF2AK2JAK2ACVR1
SCHEMBL3253119 0.89 CDK2 (0.57) CDK4GSK3BJAK2ACVR1CDK2
SCHEMBL3253139 0.89 JAK2 (0.53) CDK4GSK3BEIF2AK2JAK2ACVR1
SCHEMBL3247445 0.87 EIF2AK2 (0.58) CDK4GSK3BEIF2AK2JAK2ACVR1
SCHEMBL21526586 0.87 ACVR1 (0.69) CDK4GSK3BACVR1CDK2KDR
SCHEMBL3253621 0.87 JAK2 (0.56) CDK4GSK3BCCND3EIF2AK2JAK2
SCHEMBL3252752 0.85 CDK2 (0.57) CDK4GSK3BEIF2AK2JAK2ACVR1
SCHEMBL3252685 0.84 FLT3 (0.62) CDK4GSK3BCCND3EIF2AK2JAK2
SCHEMBL3249231 0.84 JAK2 (0.58) CDK4GSK3BJAK2ACVR1CDK2

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
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

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 CDK4 4/4885GSK3B 862/4885CCND3 31/4885

“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.