SCHEMBL4594646

SCHEMBL4594646

COc1cc(-c2cnn3ccc(NCCN(C)C)nc23)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.66
PIM2 Q9P1W9 5/20 0.66
FYN P06241 3/20 0.64
RET P07949 4/20 0.61
KDR P35968 1/20 0.54
PIK3CG P48736 2/20 0.49
TGFBR2 P37173 2/20 0.46
ACVR2A P27037 1/20 0.45
TGFBR1 P36897 1/20 0.45
CHEK1 O14757 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CDK2 P24941 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
PIM3 Q86V86 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
SCHEMBL4333345 0.90 PIM1 (0.71) PIM1PIM2FYNRETKDR
SCHEMBL4334657 0.87 FYN (0.66) PIM1PIM2FYNRETKDR
SCHEMBL4594911 0.84 PIM1 (0.76) PIM1PIM2FYNRETKDR
SCHEMBL4331236 0.83 PIM1 (0.64) PIM1PIM2FYNRETKDR
SCHEMBL4327436 0.80 FYN (0.80) PIM1FYNRETPIK3CG
SCHEMBL4595051 0.80 PIK3CG (0.70) PIM1FYNRETPIK3CGTGFBR2
SCHEMBL4338989 0.80 PIM1 (0.69) PIM1PIM2RETKDR
SCHEMBL4332411 0.79 PIM1 (1.00) PIM1PIM2RETKDR
Ammonia Solution, Strong SCHEMBL4594648 0.79 FYN (0.61) PIM1PIM2FYNPIK3CGTGFBR2
SCHEMBL4885901 0.79 FYN (0.52) PIM1PIM2FYNRETKDR

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 3 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
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 400/4885PIM2 424/4885FYN 151/4885

“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.