SCHEMBL4595478

SCHEMBL4595478

CN(C)c1cccc(-c2cnn3ccc(Nc4ccc(O)cc4)nc23)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.68
FYN P06241 6/20 0.60
PIK3CG P48736 2/20 0.52
TGFBR2 P37173 1/20 0.48
RET P07949 2/20 0.46
PIM2 Q9P1W9 6/20 0.44
FLT3 P36888 2/20 0.44

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
SCHEMBL4594658 0.88 PIM1 (0.67) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4594124 0.88 PIM1 (0.66) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4333904 0.87 FYN (0.55) PIM1FYNPIK3CGRETPIM2
SCHEMBL4341333 0.86 PIM1 (0.64) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4328530 0.84 PIM1 (0.62) PIM1FYNPIK3CGTGFBR2PIM2
SCHEMBL4335564 0.84 FYN (0.60) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4594595 0.83 FYN (0.75) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4595945 0.83 FYN (0.78) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4333360 0.82 FYN (0.73) PIM1FYNPIK3CGTGFBR2RET
SCHEMBL4594536 0.82 PIK3CG (0.70) PIM1FYNPIK3CGTGFBR2PIM2

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 4 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

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 PIM1 400/4885FYN 151/4885PIK3CG 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.