SCHEMBL4594592

SCHEMBL4594592

COc1ccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.74
PIK3CG P48736 3/20 0.58
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
TNIK Q9UKE5 1/20 0.49
IL2 P60568 1/20 0.49
MAP4K1 Q92918 1/20 0.49
JAK2 O60674 4/20 0.49
JAK3 P52333 3/20 0.49
PTK2 Q05397 2/20 0.49
RET P07949 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
PRKAB2 O43741 1/20 0.45

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
SCHEMBL4331395 0.91 FYN (0.74) FYNPIK3CGMAPTTNIKJAK2
SCHEMBL4594696 0.88 FYN (0.81) FYNPIK3CGMAPTSMN1; SMN2POLB
SCHEMBL4593777 0.87 FYN (0.69) FYNPIK3CGMAPTJAK2JAK3
SCHEMBL4327287 0.87 FYN (0.86) FYNPIK3CGMAPTSMN1; SMN2POLB
SCHEMBL4335453 0.86 FYN (0.82) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4332841 0.86 FYN (0.69) FYNPIK3CGMAPTSMN1; SMN2LMNA
SCHEMBL4333591 0.85 FYN (0.71) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4347086 0.85 FYN (1.00) FYNPIK3CGMAPTSMN1; SMN2POLB
SCHEMBL1424116 0.84 FYN (0.70) FYNPIK3CGMAPTSMN1; SMN2LMNA
SCHEMBL4594963 0.84 FYN (0.65) FYNPIK3CGTNIKJAK2JAK3

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
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
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 151/4885PIK3CG 756/4885MAPT 2762/4885

“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.