SCHEMBL4333318

SCHEMBL4333318

COc1cc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.72
FYN P06241 6/20 0.55
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
PIM1 P11309 9/20 0.51
PIM2 Q9P1W9 5/20 0.51
TGFBR2 P37173 1/20 0.49
FLT3 P36888 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
SCHEMBL4326880 0.87 PIK3CG (0.61) PIK3CGFYNMAPTSMN1; SMN2LMNA
SCHEMBL4338205 0.85 FYN (0.68) PIK3CGFYNKMT2APIM1PIM2
SCHEMBL4344737 0.85 FYN (0.67) PIK3CGFYNKMT2APIM1PIM2
SCHEMBL4559132 0.84 PIK3CG (0.74) PIK3CGFYNMAPTSMN1; SMN2MEN1
SCHEMBL4336109 0.84 FYN (0.71) PIK3CGFYNPIM1PIM2TGFBR2
SCHEMBL4559280 0.84 PIK3CG (1.00) PIK3CGFYNMAPTSMN1; SMN2MEN1
SCHEMBL4337243 0.83 FYN (0.54) PIK3CGFYNMAPTSMN1; SMN2LMNA
SCHEMBL4332002 0.83 FYN (0.64) PIK3CGFYNPIM1PIM2TGFBR2
SCHEMBL4333699 0.83 FYN (0.64) PIK3CGFYNPIM1PIM2TGFBR2
SCHEMBL4333215 0.83 PIM1 (0.55) PIK3CGFYNPIM1PIM2FLT3

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 756/4885FYN 151/4885MAPT 2762/4885

“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.