SCHEMBL4338220

SCHEMBL4338220

Oc1ccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.67
VCP P55072 1/20 0.52
RET P07949 2/20 0.48
PIK3CG P48736 1/20 0.47
JAK2 O60674 4/20 0.47
JAK3 P52333 4/20 0.47
PTK2 Q05397 4/20 0.47
FLT3 P36888 1/20 0.43
PIM1 P11309 2/20 0.43
PLK4 O00444 1/20 0.43
MAP3K11 Q16584 1/20 0.42
BMPR1B O00238 1/20 0.41
KDR P35968 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
TGFBR2 P37173 1/20 0.41
ACVR1 Q04771 1/20 0.41
BMPR2 Q13873 1/20 0.41

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
SCHEMBL14308654 0.91 FYN (0.55) FYNVCPRETPIK3CGJAK2
SCHEMBL4340112 0.89 FYN (0.67) FYNRETJAK2JAK3PTK2
SCHEMBL4594696 0.87 FYN (0.81) FYNRETPIK3CGJAK2JAK3
SCHEMBL4557515 0.87 FYN (0.67) FYNRETPIK3CGJAK2JAK3
SCHEMBL4334669 0.87 FYN (0.61) FYNRETPIK3CGPIM1
SCHEMBL4332841 0.85 FYN (0.69) FYNRETPIK3CGJAK2JAK3
SCHEMBL4338182 0.85 FYN (0.69) FYNRETPIK3CGPIM1
SCHEMBL4595492 0.84 FYN (0.69) FYNRETJAK2JAK3PTK2
SCHEMBL4333591 0.84 FYN (0.71) FYNRETPIK3CGJAK2JAK3
SCHEMBL4340286 0.84 FYN (0.66) FYNRETJAK2JAK3PTK2

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 7 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
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 151/4885VCP 2631/4885RET 911/4885

“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.