SCHEMBL4344737

SCHEMBL4344737

COc1ccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)cn1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.67
PIK3CG P48736 2/20 0.52
PIM1 P11309 9/20 0.50
PIM2 Q9P1W9 5/20 0.50
TGFBR2 P37173 2/20 0.50
ACVR2A P27037 1/20 0.50
TGFBR1 P36897 1/20 0.50
FLT3 P36888 1/20 0.47
KMT2A Q03164 1/20 0.45

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
SCHEMBL4338205 0.87 FYN (0.68) FYNPIK3CGPIM1PIM2TGFBR2
SCHEMBL4595121 0.85 FYN (0.77) FYNPIK3CGPIM1TGFBR2ACVR2A
SCHEMBL4333318 0.85 PIK3CG (0.72) FYNPIK3CGPIM1PIM2TGFBR2
SCHEMBL4333215 0.84 PIM1 (0.55) FYNPIK3CGPIM1PIM2FLT3
SCHEMBL4336109 0.84 FYN (0.71) FYNPIK3CGPIM1PIM2TGFBR2
SCHEMBL4337422 0.83 FYN (0.53) FYNPIK3CGPIM1PIM2TGFBR2
SCHEMBL4326880 0.83 PIK3CG (0.61) FYNPIK3CGPIM1PIM2TGFBR2
SCHEMBL4339409 0.83 FYN (0.73) FYNPIK3CGPIM1TGFBR2ACVR2A
SCHEMBL4333699 0.82 FYN (0.64) FYNPIK3CGPIM1PIM2TGFBR2
SCHEMBL4330159 0.82 PIK3CG (0.65) FYNPIK3CGPIM1TGFBR2ACVR2A

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 756/4885PIM1 400/4885

“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.