SCHEMBL4332316

SCHEMBL4332316

NC(c1ccncc1)c1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.63
KDR P35968 1/20 0.48
STK17A Q9UEE5 2/20 0.44
FYN P06241 1/20 0.38
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
PIM1 P11309 1/20 0.38
USP2 O75604 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK2 O43353 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
SCHEMBL4336518 0.90 RET (0.56) RETKDRSTK17AFYNPIM1
SCHEMBL4594528 0.79 KDR (0.48) RETKDRPIM1ALDH1A1MAPT
SCHEMBL4328669 0.78 MAPT (0.55) RETSTK17AFYNPIM1ALDH1A1
SCHEMBL4342744 0.78 KDR (0.52) RETKDRPIM1CYP3A4KMT2A
SCHEMBL4345357 0.77 FYN (0.52) RETKDRFYNPIM1MAPK1
SCHEMBL4345209 0.76 TGFBR2 (0.58) RETKDRFYNPIM1ALDH1A1
SCHEMBL4595450 0.75 PIM1 (0.46) RETKDRSTK17APIM1MAPK1
SCHEMBL4332320 0.75 RET (1.00) RETKDRCLK4
SCHEMBL4595639 0.72 PIM1 (0.60) RETFYNPIM1
SCHEMBL4594795 0.71 PIM1 (0.44) RETSTK17AFYNPIM1MAPT

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 6 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 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 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
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 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 RET 911/4885KDR 12/4885STK17A 1095/4885

“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.