SCHEMBL4581947

SCHEMBL4581947

COCCCNc1nccc(N2CCNC(=O)C2c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.43
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
EIF2AK2 P19525 1/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
HTR1A P08908 1/20 0.40
HRH4 Q9H3N8 6/20 0.40
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL4581037 0.94 MKNK1 (0.48) OGAMKNK1MKNK2HTR1AHRH4
SCHEMBL4581689 0.90 KDM4E (0.49) OGAMKNK1MKNK2HRH4ADRA2B
SCHEMBL4580238 0.89 HRH4 (0.48) OGAMKNK1MKNK2HRH4ADRA2B
SCHEMBL4581886 0.87 OGA (0.48) OGAMKNK1MKNK2HRH4ADRA2B
SCHEMBL4580672 0.86 OGA (0.48) OGAMKNK1MKNK2HRH4ADRA2B
SCHEMBL4581701 0.85 HRH4 (0.44) OGAMKNK1MKNK2HRH4ADRA2B
SCHEMBL4580354 0.84 OGA (0.55) OGAMKNK1MKNK2HRH4ADRA2B
SCHEMBL4581286 0.84 IDH1 (0.41) OGAHRH4ADRA2BADRA2CSLC6A2
SCHEMBL4581890 0.83 IDH1 (0.54) OGAMKNK1MKNK2HRH4ADRA2B
SCHEMBL4583094 0.83 OGA (0.40) OGAMKNK1MKNK2HRH4ADRA2B

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-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 OGA 3642/4885MKNK1 2166/4885MKNK2 2620/4885

“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.