SCHEMBL4333317

SCHEMBL4333317

COc1cc(-c2cnn3ccc(Cl)nc23)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
FYN P06241 3/20 0.55
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
PIK3CG P48736 2/20 0.48
ACVR1 Q04771 4/20 0.44
TGFBR1 P36897 3/20 0.44
TGFBR2 P37173 3/20 0.44
ACVR2A P27037 2/20 0.43
LRRK2 Q5S007 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
FLT3 P36888 2/20 0.41
PIK3CA P42336 2/20 0.41
CDK7 P50613 1/20 0.41

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
SCHEMBL1424073 0.87 MAPT (0.74) MAPTSMN1; SMN2LMNAPOLBFYN
SCHEMBL4887677 0.84 TGFBR2 (0.54) MAPTSMN1; SMN2LMNAPOLBFYN
SCHEMBL4595051 0.80 PIK3CG (0.70) MAPTSMN1; SMN2LMNAPOLBFYN
Ammonia Solution, Strong SCHEMBL4594648 0.79 FYN (0.61) MAPTSMN1; SMN2LMNAPOLBFYN
SCHEMBL4836241 0.78 FYN (0.60) MAPTSMN1; SMN2LMNAPOLBFYN
SCHEMBL4326880 0.78 PIK3CG (0.61) MAPTSMN1; SMN2LMNAPOLBFYN
SCHEMBL4325907 0.77 PIK3CG (0.64) MAPTSMN1; SMN2LMNAPOLBFYN
SCHEMBL4334657 0.77 FYN (0.66) FYNPIK3CGTGFBR1TGFBR2ACVR2A
SCHEMBL4595482 0.77 PIK3CG (0.55) MAPTSMN1; SMN2LMNAPOLBFYN
SCHEMBL4559449 0.77 PIK3CG (0.77) MAPTSMN1; SMN2LMNAPOLBFYN

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 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
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
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
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 MAPT 2762/4885SMN1; SMN2 2925/4885LMNA 4494/4885

“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.