SCHEMBL6711974

SCHEMBL6711974

COc1cc(-c2cccc(NC(=O)C(C)(C)C)n2)c(OC)cc1CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.41
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS3 P29474 2/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
NR3C2 P08235 1/20 0.35
ADORA1 P30542 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL6715081 0.93 NOS1 (0.44) NOS1CNR1MEN1POLBKMT2A
SCHEMBL6712146 0.86 NOS1 (0.45) NOS1CNR1MEN1POLBKMT2A
SCHEMBL8275651 0.85 NOS1 (0.42) NOS1CNR1MEN1POLBKMT2A
SCHEMBL6713301 0.83 NOS1 (0.61) NOS1CNR1MEN1POLBKMT2A
SCHEMBL6713920 0.82 NOS1 (0.42) NOS1CNR1MEN1POLBKMT2A
SCHEMBL8275667 0.81 NOS1 (0.46) NOS1CNR1MEN1POLBKMT2A
SCHEMBL6710968 0.79 NOS1 (0.48) NOS1CNR1MEN1POLBKMT2A
SCHEMBL8275649 0.78 NOS1 (0.47) NOS1CNR1MEN1POLBKMT2A
SCHEMBL8459589 0.77 NOS1 (0.43) NOS1CNR1MEN1POLBKMT2A
SCHEMBL6712176 0.77 NOS1 (0.45) NOS1CNR1MEN1POLBKMT2A

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 1 patent. 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

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 2/4885CNR1 540/4885MEN1 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.