SCHEMBL4595033

SCHEMBL4595033

COc1ccc(Nc2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)cn1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.63
PIK3CD O00329 1/20 0.56
TGFBR2 P37173 2/20 0.44
ACVR2A P27037 1/20 0.44
TGFBR1 P36897 1/20 0.44
PIM1 P11309 2/20 0.42
PIK3CG P48736 2/20 0.42
NTRK1 P04629 3/20 0.42
RET P07949 1/20 0.41
HPGD P15428 1/20 0.40
PIM2 Q9P1W9 1/20 0.40

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
SCHEMBL4344765 0.86 FYN (0.79) FYNTGFBR2ACVR2ATGFBR1PIM1
SCHEMBL4333462 0.84 PIK3CG (0.59) FYNPIK3CDTGFBR2PIM1PIK3CG
SCHEMBL4330128 0.83 PIK3CD (0.55) FYNPIK3CDTGFBR2PIM1PIK3CG
SCHEMBL4339798 0.83 FYN (0.69) FYNPIK3CDTGFBR2ACVR2ATGFBR1
SCHEMBL4331163 0.83 FYN (0.60) FYNPIK3CDPIM1PIK3CGNTRK1
SCHEMBL4595121 0.81 FYN (0.77) FYNTGFBR2ACVR2ATGFBR1PIM1
SCHEMBL4339522 0.80 FYN (0.78) FYNTGFBR2ACVR2ATGFBR1PIM1
SCHEMBL14308692 0.80 PIK3CG (0.54) FYNPIK3CDTGFBR2PIM1PIK3CG
SCHEMBL4327586 0.80 PIK3CD (0.55) FYNPIK3CDPIM1NTRK1RET
SCHEMBL4333107 0.79 FYN (0.79) FYNTGFBR2ACVR2ATGFBR1PIM1

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
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
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 151/4885PIK3CD 745/4885TGFBR2 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.