SCHEMBL4883030

SCHEMBL4883030

COc1cc(OC)cc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)nc4)nc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.69
TGFBR2 P37173 2/20 0.47
CSF1R P07333 1/20 0.46
DAPK1 P53355 1/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3CD O00329 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PIK3CG P48736 3/20 0.45
MAPK1 P28482 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PIM1 P11309 2/20 0.42
ACVR2A P27037 1/20 0.42
TGFBR1 P36897 1/20 0.42
DGAT1 O75907 1/20 0.42
RET P07949 1/20 0.41
SMPD3 Q9NY59 1/20 0.41
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
SCHEMBL4327287 0.89 FYN (0.86) FYNTGFBR2CSF1RPIK3CGMAPK1
SCHEMBL4347086 0.82 FYN (1.00) FYNTGFBR2PIK3CGMAPK1TAAR1
SCHEMBL4335453 0.81 FYN (0.82) FYNTGFBR2PIK3CGPIM1JAK2
SCHEMBL14357041 0.81 FYN (0.72) FYNTGFBR2PIK3CGMAPK1PIM1
SCHEMBL4594696 0.81 FYN (0.81) FYNTGFBR2PIK3CGMAPK1TAAR1
SCHEMBL4881654 0.80 PIM1 (0.62) FYNPIK3CDPIM1
SCHEMBL4335794 0.80 FYN (0.69) FYNTGFBR2PIK3CDPIK3CGPIM1
SCHEMBL4331395 0.78 FYN (0.74) FYNKDM4EGAAPIK3CGMAPK1
SCHEMBL4594592 0.76 FYN (0.74) FYNGAAPIK3CGRETJAK2
SCHEMBL4333591 0.76 FYN (0.71) FYNTGFBR2PIK3CDPIK3CGACVR2A

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 2 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
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 FYN 151/4885TGFBR2 2444/4885CSF1R 988/4885

“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.