SCHEMBL4331163

SCHEMBL4331163

CC(C)c1ccc(Nc2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.60
PIK3CD O00329 1/20 0.56
PIK3CG P48736 1/20 0.54
NTRK1 P04629 5/20 0.45
PIM1 P11309 5/20 0.44
RET P07949 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL4330128 0.86 PIK3CD (0.55) FYNPIK3CDPIK3CGNTRK1PIM1
SCHEMBL4327586 0.84 PIK3CD (0.55) FYNPIK3CDNTRK1PIM1RET
SCHEMBL4595033 0.83 FYN (0.63) FYNPIK3CDPIK3CGNTRK1PIM1
SCHEMBL4345267 0.81 PIK3CD (0.48) FYNPIK3CDPIK3CGRETL3MBTL1
SCHEMBL4333462 0.81 PIK3CG (0.59) FYNPIK3CDPIK3CGNTRK1PIM1
SCHEMBL14357199 0.80 PIK3CD (0.53) FYNPIK3CDNTRK1PIM1RET
SCHEMBL4333400 0.80 FYN (0.78) FYNPIK3CGPIM1RET
SCHEMBL4558353 0.79 FYN (0.64) FYNPIK3CGPIM1RET
SCHEMBL4332738 0.79 FYN (0.66) FYNPIK3CDNTRK1PIM1RET
SCHEMBL4327519 0.78 FYN (0.78) FYNPIK3CGPIM1RET

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
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
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 151/4885PIK3CD 745/4885PIK3CG 756/4885

“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.