SCHEMBL4595321

SCHEMBL4595321

c1ccc2oc(-c3cn4nccc4nc3Nc3ccc4[nH]ccc4c3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
ADRA2A P08913 2/20 0.37
EGFR P00533 7/20 0.37
FLT1 P17948 6/20 0.37
KDR P35968 3/20 0.37
FGFR2 P21802 1/20 0.36
FLT3 P36888 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
PDGFRB P09619 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL4338918 0.83 MAOA (0.40) ADRA2AMAPKAPK2MAOAMAOBKDM4E
SCHEMBL4342512 0.75 TUBB4A (0.40) FLT1KDRMAOBKDM4EALDH1A1
SCHEMBL4342460 0.75 PIM1 (0.42) PRKCQPRKCDMAPKAPK2
SCHEMBL4342462 0.72 CSNK2A1 (0.38) PRKCQPRKCDPRKD1ADRA2AEGFR
SCHEMBL2979273 0.71 PRKCQ (0.70) PRKCQPRKCD
SCHEMBL4336090 0.70 MKNK1 (0.51) FLT1KDRMAOAMAOBKDM4E
SCHEMBL7124519 0.70 FLT1 (0.56) PRKD1EGFRFLT1KDRTGFBR1
SCHEMBL4595114 0.69 MKNK1 (0.50) ADRA2AMAOAMAOBKDM4EALDH1A1
SCHEMBL7124516 0.69 FLT1 (0.71) EGFRFLT1KDR
SCHEMBL3695343 0.67 NPC1 (0.56) ADRA2AMAOAMAOBKDM4EALDH1A1

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
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
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 PRKCQ 2050/4885PRKCD 2542/4885PRKD1 1966/4885

“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.