SCHEMBL4336541

SCHEMBL4336541

COc1cc(Nc2ccn3ncc(-c4ccccc4CO)c3n2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.61
PTK2 Q05397 1/20 0.52
FYN P06241 7/20 0.49
BRAF P15056 4/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIM1 P11309 2/20 0.41
TGFBR2 P37173 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL14302627 0.94 PIK3CG (0.56) PIK3CGPTK2FYNBRAFMEN1
SCHEMBL4347248 0.86 PIK3CG (0.62) PIK3CGFYNBRAFMEN1KMT2A
SCHEMBL4594025 0.86 PIK3CG (0.72) PIK3CGFYNBRAFPIM1TGFBR2
SCHEMBL4331157 0.85 PIK3CG (0.61) PIK3CGPTK2FYNBRAFMEN1
SCHEMBL4335467 0.85 PIK3CG (0.61) PIK3CGPTK2FYNBRAFMAPT
SCHEMBL4332018 0.82 PIK3CG (0.58) PIK3CGFYNBRAFPIM1TGFBR2
SCHEMBL4595051 0.82 PIK3CG (0.70) PIK3CGFYNBRAFMEN1NPC1
SCHEMBL4347127 0.82 PIK3CG (0.67) PIK3CGFYNBRAFMEN1NPC1
SCHEMBL4595248 0.81 PIK3CG (0.61) PIK3CGPTK2FYNBRAFPIM1
SCHEMBL4330138 0.81 PIK3CG (0.66) PIK3CGPTK2FYNBRAFPIM1

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 756/4885PTK2 1983/4885FYN 151/4885

“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.