SCHEMBL3256174

SCHEMBL3256174

COc1ccc(Nc2nccc(-c3c[nH]nc3-c3ccc(Cl)c(C)c3)n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ PIK3CA P42336 6/20 0.47
▸ PIK3CB P42338 6/20 0.47
▸ PIK3CG P48736 6/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ RET P07949 1/20 0.43
▸ IGF1R P08069 2/20 0.42
▸ EPHB4 P54760 1/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ AURKA O14965 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ TYRO3 Q06418 2/20 0.41
▸ LCK P06239 2/20 0.41

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
SCHEMBL3255217 0.89 PIK3CA (0.58) CDK2GSK3BCDK4PIK3CAPIK3CB
SCHEMBL3255561 0.83 CDK2 (0.61) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3253879 0.79 IKBKB (0.53) —
SCHEMBL3252211 0.79 CDK2 (0.73) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3409641 0.78 PIK3CA (0.49) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3250151 0.78 PIK3CA (0.40) CDK2GSK3BCDK4PIK3CAPIK3CB
SCHEMBL3253355 0.77 PIK3CG (0.47) CDK2GSK3BPIK3CAPIK3CBPIK3CG
SCHEMBL3251254 0.77 CDK9 (0.55) CDK2GSK3BPIK3CAPIK3CBPIK3CG
SCHEMBL3258123 0.76 RET (0.59) CDK2GSK3BCDK4PIK3CAPIK3CB
SCHEMBL3253201 0.76 SYK (0.49) GSK3BPIK3CAPIK3CBPIK3CGJAK2

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
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 CDK2 22/4885GSK3B 862/4885CDK4 4/4885

“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.

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