SCHEMBL4594963

SCHEMBL4594963

COc1ccc(C(C)C)cc1-c1cnn2ccc(Nc3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.65
PIK3CG P48736 3/20 0.57
JAK2 O60674 4/20 0.48
JAK3 P52333 3/20 0.48
PTK2 Q05397 3/20 0.48
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCNB1 P14635 2/20 0.47
CCND1 P24385 2/20 0.47
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
TNIK Q9UKE5 3/20 0.45
PKMYT1 Q99640 1/20 0.41
FLT3 P36888 1/20 0.41
KCNH2 Q12809 1/20 0.40
MAPK1 P28482 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL4557515 0.85 FYN (0.67) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4594592 0.84 FYN (0.74) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4331395 0.82 FYN (0.74) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4557436 0.82 PIK3CG (0.59) FYNPIK3CG
SCHEMBL4327287 0.80 FYN (0.86) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4594696 0.79 FYN (0.81) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4593777 0.79 FYN (0.69) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4347086 0.79 FYN (1.00) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4335453 0.78 FYN (0.82) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4326788 0.77 PIK3CG (0.59) FYNPIK3CG

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 5 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
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 151/4885PIK3CG 756/4885JAK2 49/4885

“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.