SCHEMBL4335832

SCHEMBL4335832

COc1cc(Nc2ccn3ncc(-c4cccc(C(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.72
PTK2 Q05397 9/20 0.57
FYN P06241 5/20 0.55
CAMK2D Q13557 1/20 0.51
RAD52 P43351 1/20 0.49
RET P07949 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL4595806 0.91 PIK3CG (0.76) PIK3CGPTK2FYNCAMK2DRET
SCHEMBL14301973 0.87 PIK3CG (0.69) PIK3CGPTK2FYNCAMK2DRET
SCHEMBL4337260 0.87 FYN (0.74) PIK3CGPTK2FYNCAMK2DRAD52
SCHEMBL4328537 0.86 FYN (0.54) PIK3CGFYNCAMK2DRETPIM1
SCHEMBL14357019 0.86 PIK3CG (0.68) PIK3CGPTK2FYNCAMK2DRET
SCHEMBL4556978 0.85 PIK3CG (0.85) PIK3CGPTK2FYNRET
SCHEMBL4325684 0.85 KDR (0.57) PIK3CGFYNCAMK2DRETPIM1
SCHEMBL4335318 0.84 FYN (0.53) PIK3CGFYNCAMK2DRAD52RET
SCHEMBL4594791 0.84 PIK3CG (1.00) PIK3CGPTK2FYNRET
SCHEMBL4335480 0.84 PIK3CG (0.54) PIK3CGFYNCAMK2DRETPIM1

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.