SCHEMBL4335453

SCHEMBL4335453

COc1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.82
TGFBR2 P37173 1/20 0.63
PIM1 P11309 5/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51
FGFR4 P22455 3/20 0.50
PIM2 Q9P1W9 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3CA P42336 1/20 0.47
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
PTK2 Q05397 1/20 0.47

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 0.92 FYN (0.86) FYNTGFBR2PIM1CYP1A1CYP1A2
SCHEMBL4347086 0.90 FYN (1.00) FYNTGFBR2PIM1FGFR4PIK3CG
SCHEMBL4594696 0.89 FYN (0.81) FYNTGFBR2PIM1PIK3CGJAK2
SCHEMBL4338231 0.89 PIM1 (0.67) FYNTGFBR2PIM1PIM2
SCHEMBL4594592 0.86 FYN (0.74) FYNPIK3CGJAK2JAK3PTK2
SCHEMBL4595046 0.86 FYN (0.66) FYNPIM1PIM2
SCHEMBL16784348 0.86 FYN (0.66) FYNPIM1PIM2PIK3CGJAK2
SCHEMBL4338182 0.85 FYN (0.69) FYNPIM1PIM2PIK3CG
SCHEMBL4328498 0.84 FYN (0.76) FYNTGFBR2PIM1CYP1A2PIM2
SCHEMBL4331395 0.84 FYN (0.74) FYNPIK3CGJAK2JAK3PTK2

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 7 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
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
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
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 151/4885TGFBR2 2444/4885PIM1 400/4885

“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.