SCHEMBL4558600

SCHEMBL4558600

COc1ccc(Nc2ccn3ncc(-c4ccc(OC)c(OC)c4)c3n2)cn1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.74
PIK3CG P48736 2/20 0.60
TGFBR2 P37173 4/20 0.54
MAPT P10636 3/20 0.54
ACVR2A P27037 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TGFBR1 P36897 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
PIM1 P11309 1/20 0.49
RET P07949 1/20 0.46
GAK O14976 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
SCHEMBL4333357 0.90 FYN (0.71) FYNPIK3CGTGFBR2MAPTACVR2A
SCHEMBL4595121 0.89 FYN (0.77) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4347235 0.88 FYN (0.74) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4333107 0.87 FYN (0.79) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL1424116 0.86 FYN (0.70) FYNPIK3CGTGFBR2MAPTACVR2A
SCHEMBL4334171 0.86 FYN (0.78) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL14302664 0.86 FYN (0.71) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4339522 0.85 FYN (0.78) FYNPIK3CGTGFBR2MAPTACVR2A
SCHEMBL4595378 0.85 FYN (0.70) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4333167 0.85 PIK3CG (0.64) FYNPIK3CGTGFBR2MAPTACVR2A

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 8 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
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 151/4885PIK3CG 756/4885TGFBR2 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.