SCHEMBL3249231

SCHEMBL3249231

CN1CCN(c2ccc(Nc3nccc(-c4c[nH]nc4-c4ccc(O)cc4)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.58
CDK2 P24941 4/20 0.54
CCNE1 P24864 2/20 0.54
CDK4 P11802 3/20 0.53
GSK3B P49841 2/20 0.53
KDR P35968 1/20 0.53
JAK3 P52333 2/20 0.51
ACVR1 Q04771 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
STK17A Q9UEE5 1/20 0.50
MAPK1 P28482 1/20 0.50
MAP2K1 Q02750 1/20 0.50
KCNH2 Q12809 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
FLT3 P36888 2/20 0.49
EGFR P00533 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48

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
SCHEMBL3252752 0.92 CDK2 (0.57) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL3250434 0.91 EIF2AK2 (0.56) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL3253210 0.90 JAK2 (0.55) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL3252509 0.89 ACVR1 (0.54) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL3254663 0.88 ACVR1 (0.53) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL3252524 0.88 JAK2 (0.53) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL3253139 0.86 JAK2 (0.53) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL21526586 0.86 ACVR1 (0.69) CDK2CDK4GSK3BKDRACVR1
SCHEMBL3250638 0.85 JAK2 (0.58) JAK2CDK2CCNE1CDK4GSK3B
SCHEMBL3253621 0.84 JAK2 (0.56) JAK2CDK2CCNE1CDK4GSK3B

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 JAK2 24/4885CDK2 22/4885CCNE1 114/4885

“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.