SCHEMBL4333213

SCHEMBL4333213

Fc1ccc(Nc2ccn3ncc(-c4ccc(Cl)cc4)c3n2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.53
FYN P06241 5/20 0.53
PIK3CG P48736 1/20 0.48
RET P07949 1/20 0.47
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CDK2 P24941 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
KDR P35968 2/20 0.42
EGFR P00533 1/20 0.42
KCNN3 Q9UGI6 1/20 0.42

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
SCHEMBL4332416 0.92 FYN (0.50) PIM1FYNPIK3CGRETPIM2
SCHEMBL4339511 0.88 FYN (0.53) PIM1FYNPIK3CGRETPIM2
SCHEMBL4334277 0.86 PIM1 (0.57) PIM1FYNPIK3CGRETLMNA
SCHEMBL4334194 0.86 TDP2 (0.52) PIM1FYNPIK3CGRETPIM2
SCHEMBL4333215 0.84 PIM1 (0.55) PIM1FYNPIK3CGRETPIM2
SCHEMBL4595482 0.84 PIK3CG (0.55) PIM1FYNPIK3CGLMNAPOLB
SCHEMBL4333466 0.84 FYN (0.63) PIM1FYNPIK3CGRETLMNA
SCHEMBL4345237 0.83 FYN (0.69) PIM1FYNPIK3CGPIM2
SCHEMBL30634997 0.82 CDK2 (0.47) CDK2MAPKAPK2MAPK1KDREGFR
SCHEMBL29126039 0.82 CDK2 (0.47) CDK2MAPKAPK2MAPK1KDREGFR

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 8 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
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 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.