SCHEMBL6713301

SCHEMBL6713301

COc1cc(-c2cccc(NC(=O)C(C)(C)C)n2)c(OC)cc1CCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.61
NOS3 P29474 4/20 0.53
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
NR3C2 P08235 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ADORA1 P30542 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6710928 0.92 NOS1 (0.64) NOS1NOS3HTR2AMEN1POLB
SCHEMBL6712146 0.89 NOS1 (0.45) NOS1NOS3MEN1POLBKMT2A
SCHEMBL6713920 0.85 NOS1 (0.42) NOS1NOS3MEN1POLBKMT2A
SCHEMBL8275697 0.84 NOS1 (0.62) NOS1NOS3MEN1POLBKMT2A
SCHEMBL6711974 0.83 NOS1 (0.41) NOS1NOS3MEN1POLBKMT2A
SCHEMBL8275667 0.83 NOS1 (0.46) NOS1NOS3MEN1POLBKMT2A
SCHEMBL6710968 0.81 NOS1 (0.48) NOS1NOS3MEN1POLBKMT2A
SCHEMBL8275649 0.81 NOS1 (0.47) NOS1NOS3MEN1POLBKMT2A
SCHEMBL8459589 0.79 NOS1 (0.43) NOS1NOS3MEN1POLBKMT2A
SCHEMBL6712176 0.79 NOS1 (0.45) NOS1NOS3MEN1POLBKMT2A

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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US disclosed
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 NOS1 2/4885NOS3 1/4885HTR2A 816/4885

“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.