SCHEMBL4594950

SCHEMBL4594950

NC(c1ccncc1)c1ccn2ncc(-c3cnn(Cc4ccccc4)c3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.56
RET P07949 2/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CREBBP Q92793 7/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ADORA2B P29275 1/20 0.36
PIM1 P11309 1/20 0.36
PDK2 Q15119 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
SCHEMBL4595172 0.90 PIK3CD (0.54) PIK3CDRETMAPK1L3MBTL1CREBBP
SCHEMBL4594953 0.77 RET (0.75) PIK3CDRETPIM1
SCHEMBL4342744 0.76 KDR (0.52) RETPIM1
SCHEMBL4594528 0.76 KDR (0.48) RETL3MBTL1PIM1
SCHEMBL4595450 0.74 PIM1 (0.46) RETMAPK1PIM1
SCHEMBL4340685 0.73 RET (0.46) RETPIM1
SCHEMBL4345357 0.73 FYN (0.52) RETMAPK1PIM1
SCHEMBL4339472 0.72 PIM1 (0.68) PIK3CDRETL3MBTL1PIM1
SCHEMBL4333515 0.72 FYN (0.51) RET
SCHEMBL4345209 0.72 TGFBR2 (0.58) RETPIK3CGPIM1

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 745/4885RET 911/4885MAPK1 1247/4885

“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.