SCHEMBL4338918

SCHEMBL4338918

c1ccc(Nc2nc3ccnn3cc2-c2cc3ccccc3o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CSNK2A1 P68400 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
F2RL3 Q96RI0 4/20 0.37
HTR2C P28335 1/20 0.37
ADRA2A P08913 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
MEN1 O00255 3/20 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
SCHEMBL4342512 0.84 TUBB4A (0.40) MAOBF2RL3ALDH1A1KDM4EHPGD
SCHEMBL4595321 0.83 PRKCQ (0.39) MAOAMAOBF2RL3ADRA2AMAPKAPK2
SCHEMBL4336090 0.78 MKNK1 (0.51) MAOAMAOBRAB9ANPC1HTR2C
SCHEMBL4595114 0.78 MKNK1 (0.50) MAOAMAOBRAB9ANPC1F2RL3
SCHEMBL4338914 0.69 PIM1 (0.52) MAPKAPK2
SCHEMBL19683684 0.67 MAOB (0.62) MAOAMAOBCSNK2A1RAB9ANPC1
SCHEMBL4338921 0.66 CSNK2A1 (0.45) CSNK2A1RAB9ANPC1F2RL3ALDH1A1
SCHEMBL30723287 0.63 CSNK2A1 (0.77) CSNK2A1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL29152961 0.63 CSNK2A1 (0.77) CSNK2A1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL12854020 0.63 MAOB (0.71) MAOAMAOBRAB9ANPC1HTR2C

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 MAOA 1201/4885MAOB 896/4885CSNK2A1 1692/4885

“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.