SCHEMBL4340646

SCHEMBL4340646

COc1ccc(-c2cnn3ccc(Nc4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)nc23)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.69
PIK3CG P48736 2/20 0.56
FYN P06241 7/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
PLAU P00749 1/20 0.45
NR2F2 P24468 1/20 0.44
ACVR2A P27037 1/20 0.43
TGFBR1 P36897 1/20 0.43
TGFBR2 P37173 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL4333722 0.87 PIM1 (0.76) PIM1PIK3CGFYNSMN1; SMN2LMNA
SCHEMBL4594896 0.86 PIM1 (0.67) PIM1PIK3CGFYNMAPTLMNA
SCHEMBL4594529 0.86 PIM1 (0.66) PIM1PIK3CGFYNMAPTLMNA
SCHEMBL4328525 0.85 PIM1 (0.63) PIM1PIK3CGFYNMAPTLMNA
SCHEMBL4342892 0.83 PIM1 (0.70) PIM1PIK3CGFYNLMNAPOLB
SCHEMBL178399 0.83 PIM1 (0.78) PIM1PIK3CGFYNMAPTMEN1
SCHEMBL4337415 0.83 PIM1 (0.81) PIM1PIK3CGFYNMAPTLMNA
SCHEMBL1424116 0.82 FYN (0.70) PIM1PIK3CGFYNMAPTSMN1; SMN2
SCHEMBL178324 0.82 PIM1 (1.00) PIM1PIK3CGFYNMAPTLMNA
SCHEMBL4333565 0.81 PIM1 (0.72) PIM1FYNSMN1; SMN2LMNAPOLB

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 PIM1 400/4885PIK3CG 756/4885FYN 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.