SCHEMBL3254964

SCHEMBL3254964

COc1cc(OC)cc(-c2n[nH]cc2-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 7/20 0.55
▸ CDK5 Q00535 2/20 0.55
▸ AURKA O14965 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ MET P08581 1/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ FGFR1 P11362 1/20 0.55
▸ FLT1 P17948 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ GSK3A P49840 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ ACVR1 Q04771 1/20 0.55
▸ MST1R Q04912 1/20 0.55
▸ TYRO3 Q06418 1/20 0.55
▸ NTRK2 Q16620 1/20 0.55

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
SCHEMBL27553674 0.86 PIK3CG (0.51) CDK5ABL1FLT1KDRGSK3B
SCHEMBL3251254 0.85 CDK9 (0.55) CDK9CDK5AURKAMAP4K4ABL1
SCHEMBL3255280 0.82 IKBKB (0.53) CDK9CDK5AURKAMAP4K4ABL1
SCHEMBL3254956 0.81 CLK4 (0.52) CDK9CDK5AURKAMAP4K4ABL1
SCHEMBL3250514 0.78 PIK3CG (0.63) CDK9CDK5AURKAMAP4K4ABL1
SCHEMBL3607096 0.77 CDK9 (0.62) CDK9CDK5AURKAMAP4K4ABL1
SCHEMBL3255253 0.77 PIK3CG (0.67) CDK5GSK3BCLK4DYRK1BMTOR
SCHEMBL3255412 0.76 IKBKB (0.59) CDK9MAPK8GSK3BIKBKBCDK1
SCHEMBL3255150 0.75 PIK3CG (0.59) CDK5ABL1GSK3BCDK2PIK3CA
SCHEMBL3257741 0.74 PIK3CG (0.56) ABL1GSK3BCDK2CCNA2CCNA1

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
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
CN-1330643-C Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2007-08-08 — — CN claimed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 — — US claimed
CN-1668610-A Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2005-09-14 — — CN 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

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 CDK9 30/4885CDK5 47/4885AURKA 85/4885

“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.

Send feedback