SCHEMBL4333694

SCHEMBL4333694

NC(c1ccncc1)c1ccn2ncc(-c3cc4ccccc4s3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.38
JAK1 P23458 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
RET P07949 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
APP P05067 1/20 0.32
PIM2 Q9P1W9 2/20 0.32
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
CYP3A4 P08684 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PRKCQ Q04759 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL4333515 0.74 FYN (0.51) RETCYP3A4
SCHEMBL4333698 0.74 RET (0.67) PIM1RET
SCHEMBL4594528 0.73 KDR (0.48) PIM1RET
SCHEMBL4345209 0.72 TGFBR2 (0.58) PIM1RETPIM2CYP3A4PIK3CG
SCHEMBL4595450 0.72 PIM1 (0.46) PIM1RETPIM2TGFBR1
SCHEMBL4345357 0.71 FYN (0.52) PIM1RETTGFBR1
SCHEMBL4328669 0.71 MAPT (0.55) PIM1RETPIK3CGTGFBR1
SCHEMBL4595639 0.70 PIM1 (0.60) PIM1RETCYP11B1CYP11B2PIM2
SCHEMBL2949526 0.69 PIK3CD (0.52) TBK1PIK3CD
SCHEMBL4593925 0.69 PIM1 (0.36) PIM1RETPIK3CDTGFBR1

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
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
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 400/4885JAK1 30/4885PIK3C3 675/4885

“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.