SCHEMBL3247593

SCHEMBL3247593

Cc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)cnn2CCN(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.57
CDK2 P24941 5/20 0.57
KDR P35968 4/20 0.57
GSK3B P49841 2/20 0.57
JAK2 O60674 5/20 0.51
STK17A Q9UEE5 1/20 0.50
ACVR1 Q04771 1/20 0.49
CCNE1 P24864 1/20 0.49
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
JAK3 P52333 2/20 0.47
EGFR P00533 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3255214 0.93 CDK4 (0.54) CDK4CDK2KDRGSK3BJAK2
SCHEMBL3252610 0.89 JAK2 (0.53) CDK4CDK2KDRGSK3BJAK2
SCHEMBL3253066 0.86 CDK4 (0.65) CDK4CDK2KDRGSK3BJAK2
SCHEMBL3254769 0.82 JAK2 (0.53) KDRJAK2STK17AJAK3EGFR
SCHEMBL3255998 0.82 ACVR1 (0.64) CDK4CDK2KDRGSK3BJAK2
SCHEMBL3257732 0.78 CDK4 (0.61) CDK4CDK2KDRGSK3BJAK2
SCHEMBL3252752 0.76 CDK2 (0.57) CDK4CDK2KDRGSK3BJAK2
SCHEMBL3258114 0.75 ACVR1 (0.62) CDK4CDK2KDRGSK3BJAK2
SCHEMBL10192769 0.75 JAK2 (0.59) CDK4CDK2KDRGSK3BJAK2
SCHEMBL3247393 0.75 JAK2 (0.59) CDK4CDK2KDRGSK3BJAK2

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 6 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-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 US 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 CDK4 4/4885CDK2 22/4885KDR 1037/4885

“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.