SCHEMBL4887677

SCHEMBL4887677

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR2 P37173 3/20 0.54
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
FYN P06241 4/20 0.46
PIK3CG P48736 2/20 0.45
ACVR2A P27037 2/20 0.44
TGFBR1 P36897 1/20 0.44
LRRK2 Q5S007 1/20 0.44
FLT3 P36888 2/20 0.43
PIK3CA P42336 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDK7 P50613 1/20 0.43
PIM1 P11309 3/20 0.42
PIM2 Q9P1W9 1/20 0.40
KDR P35968 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
SCHEMBL4333317 0.84 MAPT (0.57) TGFBR2MAPTSMN1; SMN2LMNAPOLB
SCHEMBL4332306 0.83 TGFBR2 (0.54) TGFBR2MAPTSMN1; SMN2LMNAPOLB
SCHEMBL1424073 0.81 MAPT (0.74) TGFBR2MAPTSMN1; SMN2LMNAPOLB
SCHEMBL102997 0.74 PIM1 (0.61) TGFBR2MAPTSMN1; SMN2LMNAPOLB
SCHEMBL4883078 0.72 PIK3CG (0.65) TGFBR2PIK3CGFLT3PIM1PIM2
SCHEMBL4333206 0.72 PIK3CG (0.65) TGFBR2PIK3CGFLT3PIM1PIM2
SCHEMBL14302625 0.71 FYN (0.58) TGFBR2FYNPIK3CGACVR2ATGFBR1
SCHEMBL3634918 0.71 MAPT (0.59) TGFBR2MAPTSMN1; SMN2LMNAPOLB
SCHEMBL14357041 0.70 FYN (0.72) TGFBR2FYNPIK3CGACVR2ATGFBR1
SCHEMBL17830895 0.70 SCN5A (0.47) FLT3PIK3CACDK7

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 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 2444/4885MAPT 2762/4885SMN1; SMN2 2925/4885

“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.