SCHEMBL4338170

SCHEMBL4338170

COc1cc(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.69
PIM1 P11309 9/20 0.60
PIM2 Q9P1W9 7/20 0.60
FLT3 P36888 2/20 0.55
FYN P06241 5/20 0.54
TGFBR2 P37173 1/20 0.52
PLK1 P53350 1/20 0.51
PLK3 Q9H4B4 1/20 0.51
PTK2 Q05397 1/20 0.50
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL14356808 0.95 PIK3CG (0.62) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL4341335 0.91 PIK3CG (0.61) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL4593842 0.87 PIK3CG (0.72) PIK3CGPIM1PIM2FYNTGFBR2
SCHEMBL4340607 0.86 PIK3CG (0.73) PIK3CGPIM1PIM2FYNTGFBR2
SCHEMBL4594025 0.86 PIK3CG (0.72) PIK3CGPIM1PIM2FYNTGFBR2
SCHEMBL4325681 0.85 PIK3CG (0.75) PIK3CGPIM1PIM2FYNTGFBR2
SCHEMBL4344758 0.85 PIK3CG (0.75) PIK3CGPIM1PIM2FYNTGFBR2
SCHEMBL4336614 0.85 PIK3CG (0.72) PIK3CGPIM1PIM2FLT3FYN
SCHEMBL4595051 0.85 PIK3CG (0.70) PIK3CGPIM1FYNTGFBR2
SCHEMBL4594536 0.84 PIK3CG (0.70) PIK3CGPIM1PIM2FYNTGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK PIK3CG 756/4885PIM1 400/4885PIM2 424/4885

“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.