SCHEMBL4333664

SCHEMBL4333664

COc1cc(Nc2ccn3ncc(-c4cc5ccccc5o4)c3n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.57
FYN P06241 7/20 0.47
BRAF P15056 3/20 0.43
PIM1 P11309 1/20 0.43
TGFBR2 P37173 1/20 0.41
IGF1R P08069 3/20 0.41
KDR P35968 2/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
MET P08581 1/20 0.41
CDK2 P24941 1/20 0.41
TEK Q02763 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL4338914 0.85 PIM1 (0.52) PIK3CGFYNPIM1
SCHEMBL4594025 0.83 PIK3CG (0.72) PIK3CGFYNBRAFPIM1TGFBR2
SCHEMBL4595051 0.81 PIK3CG (0.70) PIK3CGFYNBRAFPIM1TGFBR2
SCHEMBL4347248 0.81 PIK3CG (0.62) PIK3CGFYNBRAFPIM1TGFBR2
SCHEMBL4341412 0.81 PIK3CG (0.68) PIK3CGFYNPIM1TGFBR2IGF1R
SCHEMBL4330890 0.81 FYN (0.46) PIK3CGFYNPIM1MAPTSMN1; SMN2
SCHEMBL4335467 0.80 PIK3CG (0.61) PIK3CGFYNBRAFPIM1TGFBR2
SCHEMBL4331157 0.80 PIK3CG (0.61) PIK3CGFYNBRAFPIM1TGFBR2
SCHEMBL4333674 0.80 BRAF (0.44) PIK3CGBRAFIGF1RKDRFLT1
SCHEMBL4342757 0.79 PIK3CG (0.57) PIK3CGFYNBRAFPIM1TGFBR2

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
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 151/4885BRAF 554/4885

“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.