SCHEMBL4332306

SCHEMBL4332306

COc1cc(OC)cc(-c2cnn3ccc(Br)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR2 P37173 6/20 0.54
FYN P06241 5/20 0.48
ACVR2A P27037 5/20 0.47
TGFBR1 P36897 1/20 0.47
PIK3CG P48736 2/20 0.45
PIM1 P11309 2/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KDR P35968 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 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
SCHEMBL4887677 0.83 TGFBR2 (0.54) TGFBR2FYNACVR2ATGFBR1PIK3CG
SCHEMBL4333206 0.72 PIK3CG (0.65) TGFBR2PIK3CGPIM1
SCHEMBL4883078 0.72 PIK3CG (0.65) TGFBR2PIK3CGPIM1
SCHEMBL14302625 0.71 FYN (0.58) TGFBR2FYNACVR2ATGFBR1PIK3CG
SCHEMBL14357041 0.70 FYN (0.72) TGFBR2FYNACVR2ATGFBR1PIK3CG
SCHEMBL4327287 0.69 FYN (0.86) TGFBR2FYNPIK3CGPIM1MAPT
SCHEMBL4333317 0.68 MAPT (0.57) TGFBR2FYNACVR2ATGFBR1PIK3CG
SCHEMBL4328498 0.67 FYN (0.76) TGFBR2FYNACVR2ATGFBR1PIK3CG
SCHEMBL4559052 0.67 FYN (0.79) TGFBR2FYNACVR2ATGFBR1PIK3CG
SCHEMBL4335457 0.66 FYN (0.72) TGFBR2FYNACVR2ATGFBR1PIK3CG

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
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 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
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 TGFBR2 2444/4885FYN 151/4885ACVR2A 2505/4885

“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.