SCHEMBL4333462

SCHEMBL4333462

COc1cc(Nc2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.59
FYN P06241 8/20 0.54
PIK3CD O00329 1/20 0.54
BRAF P15056 1/20 0.43
TGFBR2 P37173 1/20 0.43
PIM1 P11309 2/20 0.42
PGK1 P00558 1/20 0.42
NTRK1 P04629 2/20 0.42
RET P07949 1/20 0.41

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
SCHEMBL14308692 0.93 PIK3CG (0.54) PIK3CGFYNPIK3CDTGFBR2PIM1
SCHEMBL4594025 0.86 PIK3CG (0.72) PIK3CGFYNBRAFTGFBR2PIM1
SCHEMBL4595033 0.84 FYN (0.63) PIK3CGFYNPIK3CDTGFBR2PIM1
SCHEMBL4342454 0.83 PIK3CG (0.64) PIK3CGFYNTGFBR2PIM1NTRK1
SCHEMBL4595051 0.82 PIK3CG (0.70) PIK3CGFYNBRAFTGFBR2PIM1
SCHEMBL4325907 0.82 PIK3CG (0.64) PIK3CGFYNBRAFTGFBR2PIM1
SCHEMBL4330128 0.81 PIK3CD (0.55) PIK3CGFYNPIK3CDTGFBR2PIM1
SCHEMBL4327586 0.81 PIK3CD (0.55) FYNPIK3CDPIM1NTRK1RET
SCHEMBL4595091 0.81 PIK3CG (0.71) PIK3CGFYNTGFBR2PIM1
SCHEMBL4331163 0.81 FYN (0.60) PIK3CGFYNPIK3CDPIM1NTRK1

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 7 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
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 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 151/4885PIK3CD 745/4885

“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.