SCHEMBL4595172

SCHEMBL4595172

NC(c1cccnc1)c1ccn2ncc(-c3cnn(Cc4ccccc4)c3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
PIM1 P11309 2/20 0.42
FYN P06241 5/20 0.42
CREBBP Q92793 4/20 0.40
RET P07949 2/20 0.39
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL4594950 0.90 PIK3CD (0.56) PIK3CDL3MBTL1PIM1CREBBPRET
SCHEMBL4340685 0.85 RET (0.46) PIM1FYNRET
SCHEMBL4594475 0.82 CHEK1 (0.45) PIK3CDPIM1FYNRETPIK3CA
SCHEMBL4695824 0.80 PIM1 (0.43) PIM1FYNRET
SCHEMBL4595639 0.79 PIM1 (0.60) PIM1FYNRET
SCHEMBL4594873 0.79 PIM1 (0.45) PIM1FYNRET
SCHEMBL4338189 0.78 PIM1 (0.51) PIM1FYN
SCHEMBL4333059 0.78 PIM1 (0.39) PIM1FYNRET
SCHEMBL4594268 0.77 FYN (0.58) PIM1FYNRET
SCHEMBL4339472 0.77 PIM1 (0.68) PIK3CDL3MBTL1PIM1FYNRET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4880/4885PIM1 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.