SCHEMBL4594595

SCHEMBL4594595

COc1cccc(-c2cnn3ccc(Nc4ccc(O)cc4)nc23)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.75
TGFBR2 P37173 2/20 0.71
PIK3CG P48736 3/20 0.59
PIM1 P11309 7/20 0.50
PIM2 Q9P1W9 5/20 0.49
VCP P55072 1/20 0.48
FLT3 P36888 1/20 0.48
ACVR2A P27037 1/20 0.47
TGFBR1 P36897 1/20 0.47
RET P07949 1/20 0.46

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
SCHEMBL4328498 0.90 FYN (0.76) FYNTGFBR2PIK3CGPIM1PIM2
SCHEMBL4338216 0.89 FYN (0.74) FYNTGFBR2PIK3CGPIM1PIM2
SCHEMBL4333823 0.88 FYN (0.71) FYNTGFBR2PIK3CGPIM1ACVR2A
SCHEMBL4557669 0.88 FYN (0.78) FYNTGFBR2PIK3CGPIM1PIM2
SCHEMBL4335168 0.87 FYN (0.77) FYNTGFBR2PIK3CGPIM1VCP
SCHEMBL4333198 0.86 FYN (1.00) FYNTGFBR2PIK3CGPIM1PIM2
SCHEMBL4340607 0.84 PIK3CG (0.73) FYNTGFBR2PIK3CGPIM1PIM2
SCHEMBL4336109 0.84 FYN (0.71) FYNTGFBR2PIK3CGPIM1PIM2
SCHEMBL4335564 0.84 FYN (0.60) FYNTGFBR2PIK3CGPIM1PIM2
SCHEMBL4335453 0.84 FYN (0.82) FYNTGFBR2PIK3CGPIM1PIM2

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 FYN 151/4885TGFBR2 2444/4885PIK3CG 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.