SCHEMBL2955040

SCHEMBL2955040

FC(F)(F)c1cccc(-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.68
CDK4 P11802 4/20 0.57
CDK2 P24941 4/20 0.57
CCND3 P30281 3/20 0.56
CLK1 P49759 1/20 0.56
CLK2 P49760 1/20 0.56
DYRK1A Q13627 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
BRAF P15056 1/20 0.55
MAPK14 Q16539 1/20 0.55
PLK1 P53350 1/20 0.54
MTOR P42345 2/20 0.52
SMG1 Q96Q15 1/20 0.52
CCNA2 P20248 3/20 0.52
CCNA1 P78396 3/20 0.52
AURKA O14965 1/20 0.52
PIM1 P11309 2/20 0.51
CAMK2D Q13557 1/20 0.50

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
SCHEMBL2956376 0.90 PLK1 (0.68) GSK3BCDK4CDK2CCND3BRAF
SCHEMBL2955416 0.88 GSK3B (0.57) GSK3BCDK4CDK2CCND3CLK1
SCHEMBL2944816 0.85 CLK1 (0.60) GSK3BCDK2CLK1CLK2DYRK1A
SCHEMBL4479938 0.82 GSK3B (1.00) GSK3BCDK4CDK2
SCHEMBL4738297 0.81 PLK1 (0.68) GSK3BCDK2CLK1CLK2DYRK1A
SCHEMBL21074032 0.81 BRAF (0.64) GSK3BCDK4CDK2BRAFMAPK14
SCHEMBL4482281 0.81 GSK3B (1.00) GSK3BCDK2
SCHEMBL19966865 0.81 BRAF (0.68) GSK3BCDK4CCND3BRAFMAPK14
SCHEMBL4737084 0.81 SYK (0.62) GSK3BCDK4CDK2CLK1CLK2
SCHEMBL4892529 0.81 CLK1 (0.65) GSK3BCDK4CDK2CCND3CLK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759357-B2 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2010-07-20 US disclosed
US-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance WOISETSCHLAEGER MAXIMILIAN 2008-11-13 US disclosed
US-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance WOISETSCHLAEGER MAXIMILIAN 2008-11-13 US disclosed
EP-1474146-B1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS NOVARTIS AG (CH) 2008-08-27 EP disclosed
EP-1933839-A1 PHENYL-(4-PHENYL-PYRIMIDIN-2-YL)-AMINES FOR ENHANCING IMMUNOTOLERANCE Novartis AG (CH) 2008-06-25 EP disclosed
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2007-12-06 US disclosed
WO-2007039216-A1 PHENYL-(4-PHENYL-PYRIMIDIN-2-YL)-AMINES FOR ENHANCING IMMUNOTOLERANCE NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-2007039216-A1 PHENYL-(4-PHENYL-PYRIMIDIN-2-YL)-AMINES FOR ENHANCING IMMUNOTOLERANCE NOVARTIS AG (CH) 2007-04-12 WO disclosed
US-20050119255-A1 Phenylpyrimidine amines as ige inhibitors BULUSU MURTY (AT) 2005-06-02 US disclosed
EP-1474146-A1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS Novartis AG (CH) 2004-11-10 EP disclosed
WO-2003063871-A1 PHENYLPYRIMIDINE AMINES AS IGE INHIBITORS NOVARTIS AG (CH) 2003-08-07 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 (3 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-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance IFNG, IL2, LY96 GSK3B 4583/4885CDK4 2063/4885CDK2 2993/4885
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors FCER2, SELP, FCGR2A GSK3B 2749/4885CDK4 692/4885CDK2 678/4885
US-20050119255-A1 Phenylpyrimidine amines as ige inhibitors FCER2, SELP, FCGR2A GSK3B 2749/4885CDK4 692/4885CDK2 678/4885

“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.