SCHEMBL8275697

SCHEMBL8275697

CCc1cc(-c2cccc(NC(=O)C(C)(C)C)n2)c(OC)cc1CN(C)C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.62
NOS3 P29474 4/20 0.62
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
ADORA1 P30542 2/20 0.35
PI4KB Q9UBF8 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AAK1 Q2M2I8 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 0.90 NOS1 (0.64) NOS1NOS3MEN1KMT2APOLB
SCHEMBL8275649 0.89 NOS1 (0.47) NOS1NOS3MEN1KMT2APOLB
SCHEMBL8275667 0.87 NOS1 (0.46) NOS1NOS3MEN1KMT2APOLB
SCHEMBL6710968 0.87 NOS1 (0.48) NOS1NOS3MEN1KMT2APOLB
SCHEMBL6712176 0.87 NOS1 (0.45) NOS1NOS3MEN1KMT2APOLB
SCHEMBL8275671 0.87 NOS1 (0.45) NOS1NOS3MEN1KMT2APOLB
SCHEMBL8459589 0.85 NOS1 (0.43) NOS1NOS3MEN1KMT2APOLB
SCHEMBL6713301 0.84 NOS1 (0.61) NOS1NOS3MEN1KMT2APOLB
SCHEMBL5800402 0.84 NOS1 (0.65) NOS1NOS3MEN1KMT2A
SCHEMBL8275651 0.83 NOS1 (0.42) NOS1NOS3MEN1KMT2APOLB

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
WO-2003030993-A1 2-AMINO-6-(2,4,5-SUBSTITUTED-PHENYL)-PYRIDINES FOR USE AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-04-17 WO 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 1/4885MEN1 2481/4885

“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.