SCHEMBL4325795

SCHEMBL4325795

CS(=O)(=O)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.66
JAK2 O60674 8/20 0.66
FYN P06241 5/20 0.63
PTK2 Q05397 8/20 0.57
PIK3CD O00329 1/20 0.51
PIM1 P11309 2/20 0.51
ACVR1 Q04771 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL102515 0.89 FYN (0.62) JAK3JAK2FYNPTK2PIK3CD
SCHEMBL4595046 0.84 FYN (0.66) FYNPIM1
SCHEMBL16784348 0.84 FYN (0.66) JAK3JAK2FYNPTK2PIM1
SCHEMBL4692793 0.84 FYN (0.65) JAK3JAK2FYNPTK2PIK3CD
SCHEMBL4335453 0.84 FYN (0.82) JAK3JAK2FYNPTK2PIM1
SCHEMBL4338988 0.83 BRAF (0.64) JAK3JAK2FYN
SCHEMBL4337397 0.82 PIK3CG (0.62) JAK3JAK2FYNPTK2PIK3CD
SCHEMBL4332841 0.82 FYN (0.69) JAK3JAK2FYNPTK2PIK3CD
SCHEMBL4338182 0.82 FYN (0.69) FYNPIM1
SCHEMBL4340112 0.80 FYN (0.67) JAK3JAK2FYNPTK2PIM1

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
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
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

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 JAK3 145/4885JAK2 49/4885FYN 151/4885

“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.