SCHEMBL4595548

SCHEMBL4595548

COc1ccc(-c2cnn3ccc(Nc4ccc(C)c(NS(C)(=O)=O)c4)nc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.71
RET P07949 1/20 0.50
PIK3CG P48736 3/20 0.47
TGFBR2 P37173 1/20 0.46
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
PIM1 P11309 2/20 0.45
BACE1 P56817 4/20 0.43
TNIK Q9UKE5 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 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
SCHEMBL4339057 0.91 FYN (0.69) FYNRETPIK3CGTGFBR2CCNT1
SCHEMBL4333715 0.90 FYN (0.78) FYNRETPIK3CGTGFBR2CCNT1
SCHEMBL103286 0.90 FYN (0.67) FYNRETPIK3CGPIM1BACE1
SCHEMBL4330999 0.89 FYN (0.82) FYNRETPIK3CGCCNT1CDK9
SCHEMBL4339754 0.89 FYN (0.70) FYNRETPIK3CGTGFBR2CCNT1
SCHEMBL4330992 0.89 FYN (0.63) FYNRETPIK3CGTGFBR2CCNT1
SCHEMBL4337276 0.88 FYN (0.69) FYNRETPIK3CGTGFBR2CCNT1
SCHEMBL4330239 0.87 FYN (0.71) FYNRETPIK3CGCCNT1CDK9
SCHEMBL4333572 0.87 FYN (0.73) FYNRETPIK3CGTGFBR2CCNT1
SCHEMBL4333443 0.86 FYN (0.74) FYNRETPIK3CGCCNT1CDK9

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 5 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
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 FYN 151/4885RET 911/4885PIK3CG 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.