SCHEMBL4595850

SCHEMBL4595850

C1=C(CN(Cc2ccccc2)c2ccn3ncc(-c4cnn(Cc5ccccc5)c4)c3n2)OCO1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.38
RET P07949 2/20 0.37
CREBBP Q92793 9/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALK Q9UM73 1/20 0.33
COMT P21964 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL4344706 0.84 PIM1 (0.39) PIK3CDRET
SCHEMBL4342826 0.81 RET (0.35) PIK3CDRET
SCHEMBL4333154 0.80 FYN (0.43) PIK3CDRET
SCHEMBL4333742 0.80 FYN (0.45) PIK3CDRET
SCHEMBL4335188 0.79 FYN (0.35) RET
SCHEMBL4326203 0.79 RET (0.35) RET
SCHEMBL4340331 0.77 FAAH (0.33) PIK3CDRET
SCHEMBL4339355 0.75 CETP (0.37) RET
SCHEMBL4595846 0.73 PIK3CD (0.54) PIK3CDL3MBTL1RETCREBBPMAPK1
SCHEMBL4595839 0.67 RET (0.73) PIK3CDRET

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
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

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 PIK3CD 745/4885L3MBTL1 4880/4885RET 911/4885

“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.