SCHEMBL4595846

SCHEMBL4595846

CN(c1ccc2c(c1)OCO2)c1ccn2ncc(-c3cnn(Cc4ccccc4)c3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.54
RET P07949 10/20 0.50
KDR P35968 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
SCD5 Q86SK9 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
CREBBP Q92793 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4594312 0.82 RET (0.60) RETKDRKDM4EALDH1A1GAA
SCHEMBL4344703 0.79 RET (0.48) RETKDRKMT2A
SCHEMBL4595839 0.79 RET (0.73) PIK3CDRETKDRKDM4EALDH1A1
SCHEMBL4342823 0.78 RET (0.44) RETKDR
SCHEMBL4333739 0.77 RET (0.43) RETKDRMEN1KMT2AL3MBTL1
SCHEMBL4335186 0.77 RET (0.42) RETKDRMEN1KMT2A
SCHEMBL4333149 0.76 FYN (0.47) RETKDRGAA
SCHEMBL4331109 0.75 RET (0.47) RETKDR
SCHEMBL4342461 0.74 RET (0.42) RETKDRKDM4EMAPK1MEN1
SCHEMBL4595850 0.73 PIK3CD (0.52) PIK3CDRETMAPK1CREBBPL3MBTL1

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 911/4885KDR 12/4885

“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.