SCHEMBL4595261

SCHEMBL4595261

COc1cc(Nc2ccn3ncc(-c4ccc(OC(F)(F)F)cc4)c3n2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.60
FYN P06241 5/20 0.56
PIM1 P11309 10/20 0.48
PIM2 Q9P1W9 7/20 0.48
IGF1R P08069 1/20 0.47
TGFBR2 P37173 1/20 0.45
FLT3 P36888 1/20 0.45
SCN5A Q14524 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL14302390 0.92 PIK3CG (0.54) PIK3CGFYNPIM1PIM2IGF1R
SCHEMBL4335840 0.87 PIK3CG (0.65) PIK3CGFYNPIM1TGFBR2
SCHEMBL4330118 0.86 PIK3CG (0.66) PIK3CGFYNPIM1TGFBR2
SCHEMBL4595051 0.86 PIK3CG (0.70) PIK3CGFYNPIM1TGFBR2
SCHEMBL4325772 0.85 PIK3CG (0.63) PIK3CGFYNPIM1TGFBR2
SCHEMBL4347127 0.85 PIK3CG (0.67) PIK3CGFYNPIM1TGFBR2
SCHEMBL4340556 0.85 PIK3CG (0.65) PIK3CGFYNPIM1PIM2TGFBR2
SCHEMBL4347245 0.85 PIK3CG (0.67) PIK3CGFYNPIM1TGFBR2
SCHEMBL4594025 0.85 PIK3CG (0.72) PIK3CGFYNPIM1PIM2TGFBR2
SCHEMBL4341335 0.84 PIK3CG (0.61) PIK3CGFYNPIM1PIM2TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 756/4885FYN 151/4885PIM1 400/4885

“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.