SCHEMBL4595812

SCHEMBL4595812

c1ccc(Oc2ccc(Nc3ccn4ncc(-c5ccsc5)c4n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.52
PIM1 P11309 7/20 0.50
TGFBR2 P37173 1/20 0.43
PIK3CG P48736 2/20 0.43
RET P07949 2/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
PIM2 Q9P1W9 3/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL4337401 0.90 PIM1 (0.56) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4325978 0.86 FYN (0.57) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4339422 0.84 PIM1 (0.61) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4333535 0.84 FYN (0.49) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4345471 0.83 FYN (0.61) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4558753 0.83 FYN (0.61) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL14302405 0.83 FYN (0.61) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4594837 0.81 FYN (0.67) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4347165 0.81 PIK3CG (0.58) FYNPIM1TGFBR2PIK3CGRET
SCHEMBL4326045 0.80 FYN (0.58) FYNPIM1TGFBR2PIK3CGRET

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
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
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 151/4885PIM1 400/4885TGFBR2 2444/4885

“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.