SCHEMBL5833347

SCHEMBL5833347

CC1=NC(C)(c2cccc(-c3ccc(OCc4ccccc4)c4ccccc34)n2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
PTGER1 P34995 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DHFR P00374 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
F2 P00734 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5833533 0.86 KDM4E (0.45) NOS3NOS1NOS2MAPTL3MBTL1
SCHEMBL5833998 0.85 NOS3 (0.42) NOS3NOS1NOS2PTGER1MAPT
SCHEMBL5833516 0.83 NOS3 (0.53) NOS3NOS1NOS2HTT
SCHEMBL5834035 0.79 NOS3 (0.44) NOS3NOS1NOS2SMN1; SMN2
SCHEMBL6583121 0.72 NOS3 (0.44) NOS3NOS1NOS2
SCHEMBL5833356 0.72 NOS3 (0.43) NOS3NOS1NOS2PTGER1MAPT
SCHEMBL5833902 0.71 NOS3 (0.41) NOS3NOS1NOS2TDP1
SCHEMBL5833350 0.70 PTGER1 (0.42) NOS3NOS1NOS2PTGER1MAPT
Dimethylamine SCHEMBL5833808 0.70 NOS3 (0.42) NOS3NOS1NOS2
SCHEMBL6622608 0.69 MAP3K5 (0.32)

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
US-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US disclosed
EP-1007520-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PROD INC (US) 2003-08-27 EP disclosed
US-20030149017-A1 2-Aminopyridines containing fused ring substituents PFIZER INC. 2003-08-07 US disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999010339-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-04 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 (2 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-20030149017-A1 2-Aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885

“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.