SCHEMBL3258114

SCHEMBL3258114

Cc1ccc(-c2nn(C)cc2-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.62
CDK4 P11802 5/20 0.57
JAK2 O60674 4/20 0.57
CDK2 P24941 3/20 0.57
KDR P35968 3/20 0.57
GSK3B P49841 2/20 0.57
CCNE1 P24864 1/20 0.56
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
STK17A Q9UEE5 1/20 0.51
JAK3 P52333 2/20 0.51
EGFR P00533 1/20 0.51
EIF2AK2 P19525 1/20 0.51

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
SCHEMBL3255993 0.92 ACVR1 (0.62) ACVR1CDK4JAK2CDK2KDR
SCHEMBL3258055 0.87 JAK2 (0.60) ACVR1JAK2KDRSTK17AJAK3
SCHEMBL3255998 0.86 ACVR1 (0.64) ACVR1CDK4JAK2CDK2KDR
SCHEMBL3252752 0.84 CDK2 (0.57) ACVR1CDK4JAK2CDK2KDR
SCHEMBL5090939 0.81 FLT3 (0.60) ACVR1JAK2CDK2KDRGSK3B
SCHEMBL3253066 0.81 CDK4 (0.65) ACVR1CDK4JAK2CDK2KDR
SCHEMBL3388882 0.80 ACVR1 (0.55) ACVR1JAK2JAK3
SCHEMBL3255466 0.80 ACVR1 (0.63) ACVR1JAK2
SCHEMBL3255585 0.79 JAK2 (0.60) ACVR1JAK2KDRSTK17AJAK3
SCHEMBL5094765 0.78 CDK2 (0.56) ACVR1CDK4JAK2CDK2KDR

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 10 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-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 EP disclosed
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
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 EP disclosed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 WO 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 1522/4885CDK4 4/4885JAK2 24/4885

“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.