SCHEMBL4328408

SCHEMBL4328408

COc1cc(-c2cnn3ccc(NC4CCC(O)CC4)nc23)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.72
PIM1 P11309 16/20 0.68
PIM2 Q9P1W9 13/20 0.64
FLT3 P36888 4/20 0.61
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RET P07949 1/20 0.50

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
SCHEMBL1424084 0.92 PIK3CG (0.71) PIK3CGPIM1PIM2FLT3MEN1
SCHEMBL1424085 0.92 PIK3CG (0.71) PIK3CGPIM1PIM2FLT3MEN1
SCHEMBL4340311 0.88 PIK3CG (0.71) PIK3CGPIM1PIM2FLT3
SCHEMBL4338906 0.85 PIK3CG (0.78) PIK3CGPIM1PIM2FLT3
SCHEMBL14357185 0.85 PIM1 (0.68) PIK3CGPIM1PIM2FLT3RET
SCHEMBL4342776 0.83 PIK3CG (1.00) PIK3CGPIM1PIM2FLT3
SCHEMBL4694423 0.83 PIK3CG (0.69) PIK3CGPIM1PIM2FLT3
SCHEMBL4692526 0.82 PIM1 (0.73) PIK3CGPIM1PIM2FLT3RET
SCHEMBL1423893 0.82 PIM1 (0.70) PIK3CGPIM1PIM2FLT3MEN1
SCHEMBL1423896 0.82 PIM1 (0.70) PIK3CGPIM1PIM2FLT3MEN1

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 11 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
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 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 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
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO 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
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 756/4885PIM1 400/4885PIM2 424/4885

“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.