SCHEMBL3249541

SCHEMBL3249541

CCc1ccc(-c2n[nH]cc2-c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.55
RET P07949 3/20 0.47
HDAC1 Q13547 3/20 0.44
CDK19 Q9BWU1 1/20 0.43
ALK Q9UM73 1/20 0.43
JAK2 O60674 4/20 0.41
JAK3 P52333 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
MET P08581 1/20 0.40
PLK1 P53350 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL3252603 0.92 RET (0.49) IKBKBRETJAK2JAK3ABL1
SCHEMBL3253886 0.91 IKBKB (0.57) IKBKBRETHDAC1CDK19ALK
SCHEMBL3250562 0.90 IKBKB (0.56) IKBKBRETABL1BCRCDK4
SCHEMBL3256344 0.89 IKBKB (0.54) IKBKBRETHDAC1CDK19ALK
SCHEMBL3254962 0.86 IKBKB (0.54) IKBKBRETHDAC1CDK19ALK
SCHEMBL3253351 0.84 IKBKB (0.51) IKBKBRETCDK19ALKABL1
SCHEMBL3247819 0.84 RIPK2 (0.51) IKBKBRETJAK2JAK3ABL1
SCHEMBL3255627 0.83 MET (0.54) IKBKBRETABL1BCRCDK4
SCHEMBL3254699 0.83 RIPK2 (0.52) IKBKBRETJAK2JAK3ABL1
SCHEMBL3252509 0.78 ACVR1 (0.54) IKBKBRETHDAC1JAK2JAK3

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 IKBKB 442/4885RET 1252/4885HDAC1 2113/4885

“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.