SCHEMBL4594896

SCHEMBL4594896

COc1cncc(-c2cnn3ccc(Nc4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)nc23)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.67
FYN P06241 6/20 0.61
PIK3CG P48736 3/20 0.52
TGFBR2 P37173 2/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RET P07949 2/20 0.43
ACVR2A P27037 1/20 0.41
TGFBR1 P36897 1/20 0.41
NPY5R Q15761 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
FAM20C Q8IXL6 1/20 0.41
TP53 P04637 1/20 0.41

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 0.90 PIM1 (0.76) PIM1FYNPIK3CGTGFBR2ALDH1A1
SCHEMBL4340646 0.86 PIM1 (0.69) PIM1FYNPIK3CGTGFBR2LMNA
SCHEMBL4342892 0.85 PIM1 (0.70) PIM1FYNPIK3CGALDH1A1LMNA
SCHEMBL4328525 0.85 PIM1 (0.63) PIM1FYNPIK3CGTGFBR2ALDH1A1
SCHEMBL4333565 0.85 PIM1 (0.72) PIM1FYNALDH1A1LMNARET
SCHEMBL12134078 0.84 PIM1 (0.67) PIM1FYNPIK3CGTGFBR2MAPT
SCHEMBL4594529 0.82 PIM1 (0.66) PIM1FYNPIK3CGTGFBR2ALDH1A1
SCHEMBL4335457 0.82 FYN (0.72) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL178399 0.81 PIM1 (0.78) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4333823 0.81 FYN (0.71) PIM1FYNPIK3CGTGFBR2RET

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 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 400/4885FYN 151/4885PIK3CG 756/4885

“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.