SCHEMBL4595396

SCHEMBL4595396

CS(=O)(=O)Nc1cccc(-c2cnn3ccc(Nc4ccccc4)nc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.64
PIM1 P11309 4/20 0.57
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 4/20 0.52
CLK4 Q9HAZ1 3/20 0.52
RET P07949 3/20 0.52
USP2 O75604 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
PIK3CG P48736 2/20 0.50
PIM2 Q9P1W9 1/20 0.50
PTK2 Q05397 1/20 0.49
TGFBR2 P37173 1/20 0.49
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL4342772 0.92 FYN (0.59) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4558908 0.90 FYN (0.60) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4595931 0.90 FYN (0.62) FYNPIM1RETPIK3CGPIM2
SCHEMBL4340636 0.87 FYN (0.83) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4327144 0.86 PIK3CG (0.69) FYNPIM1RETPIK3CGPTK2
SCHEMBL102515 0.86 FYN (0.62) FYNPIM1CYP1A2CYP3A4RET
SCHEMBL4340695 0.86 FYN (0.74) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4327456 0.83 RET (0.68) FYNPIM1RETPIK3CGPIM2
SCHEMBL4345402 0.81 RET (0.79) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4594541 0.81 FYN (0.69) FYNPIM1RETPIK3CGPIM2

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 4 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

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 151/4885PIM1 400/4885CYP1A2 152/4885

“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.