SCHEMBL4333591

SCHEMBL4333591

COc1ccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.71
JAK2 O60674 4/20 0.65
JAK3 P52333 4/20 0.65
PTK2 Q05397 3/20 0.65
PIK3CG P48736 4/20 0.49
PIK3CD O00329 4/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 3/20 0.47
MTOR P42345 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
TGFBR1 P36897 2/20 0.46
TGFBR2 P37173 2/20 0.46
ACVR2A P27037 1/20 0.46
RET P07949 1/20 0.44
BMPR1B O00238 1/20 0.43
KDR P35968 1/20 0.43
BMPR1A P36894 1/20 0.43
ACVR1B P36896 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL4335794 0.94 FYN (0.69) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4594696 0.88 FYN (0.81) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4594592 0.85 FYN (0.74) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4595121 0.85 FYN (0.77) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4327287 0.85 FYN (0.86) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4338220 0.84 FYN (0.67) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4339409 0.84 FYN (0.73) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4331395 0.83 FYN (0.74) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4347086 0.83 FYN (1.00) FYNJAK2JAK3PTK2PIK3CG
SCHEMBL4335453 0.83 FYN (0.82) FYNJAK2JAK3PTK2PIK3CG

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
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
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
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 151/4885JAK2 49/4885JAK3 145/4885

“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.