SCHEMBL4337287

SCHEMBL4337287

COc1ccc(-c2cnn3ccc(Nc4ccc(C(C)C)cc4)nc23)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.74
PIK3CG P48736 3/20 0.67
TGFBR2 P37173 2/20 0.47
PIM1 P11309 2/20 0.42
LRRK2 Q5S007 1/20 0.39
ACVR2A P27037 1/20 0.39
TGFBR1 P36897 1/20 0.39
RET P07949 1/20 0.39
FGFR2 P21802 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4338120 0.88 FYN (0.57) FYNPIK3CGTGFBR2PIM1LRRK2
SCHEMBL4333539 0.88 FYN (0.56) FYNPIK3CGTGFBR2PIM1LRRK2
SCHEMBL4339496 0.86 FYN (0.56) FYNPIK3CGTGFBR2PIM1
SCHEMBL4558429 0.85 FYN (1.00) FYNPIK3CGTGFBR2PIM1ACVR2A
SCHEMBL4331294 0.85 PIK3CG (0.59) FYNPIK3CGTGFBR2LRRK2RET
SCHEMBL4557669 0.84 FYN (0.78) FYNPIK3CGTGFBR2PIM1ACVR2A
SCHEMBL4332413 0.84 FYN (0.72) FYNPIK3CGTGFBR2PIM1LRRK2
SCHEMBL4336476 0.83 FYN (0.52) FYNPIK3CGTGFBR2LMNAPOLB
SCHEMBL4595067 0.83 FYN (0.53) FYNPIK3CGTGFBR2PIM1LMNA
SCHEMBL4594891 0.83 PIK3CG (0.84) FYNPIK3CGTGFBR2PIM1ACVR2A

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 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.