SCHEMBL4332413

SCHEMBL4332413

COc1ccc(-c2cnn3ccc(Nc4ccc(OC)nc4)nc23)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.72
PIK3CG P48736 4/20 0.48
TGFBR2 P37173 2/20 0.47
ACVR2A P27037 1/20 0.46
TGFBR1 P36897 1/20 0.46
PIM1 P11309 1/20 0.42
JAK2 O60674 2/20 0.41
PTK2 Q05397 2/20 0.41
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
ACP1 P24666 1/20 0.38

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
SCHEMBL4330858 0.88 FYN (0.68) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4338120 0.86 FYN (0.57) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4334171 0.85 FYN (0.78) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4333539 0.85 FYN (0.56) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4331294 0.85 PIK3CG (0.59) FYNPIK3CGTGFBR2JAK2PTK2
SCHEMBL4337287 0.84 FYN (0.74) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4333198 0.84 FYN (1.00) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4339496 0.84 FYN (0.56) FYNPIK3CGTGFBR2PIM1
SCHEMBL4595317 0.83 FYN (0.68) FYNPIK3CGTGFBR2ACVR2ATGFBR1
SCHEMBL4337256 0.83 FYN (0.80) FYNPIK3CGTGFBR2ACVR2ATGFBR1

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.