SCHEMBL4935355

SCHEMBL4935355

Cc1ccc(CCc2cccc(-c3ccccc3)c2)nc1N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.55
NOS1 P29475 3/20 0.47
NOS2 P35228 1/20 0.47
KCNH2 Q12809 1/20 0.46
DHFR P00374 3/20 0.43
HTR7 P34969 2/20 0.43
FFAR1 O14842 1/20 0.42
AGXT P21549 1/20 0.41
NOS3 P29474 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL4938009 0.85 BACE1 (0.49) BACE1NOS1NOS2KCNH2HTR7
SCHEMBL4937539 0.85 BACE1 (0.73) BACE1NOS1NOS2DHFRMAOB
SCHEMBL14034461 0.83 NOS1 (0.54) BACE1NOS1NOS2DHFRNOS3
SCHEMBL4142172 0.71 BACE1 (1.00) BACE1
SCHEMBL4149077 0.70 BACE1 (0.97) BACE1
SCHEMBL4134277 0.70 BACE1 (0.79) BACE1
SCHEMBL4939874 0.70 BACE1 (0.65) BACE1DHFRMAOB
SCHEMBL24629256 0.70 MAOA (0.51) BACE1NOS1NOS2HTR7FFAR1
SCHEMBL3836772 0.69 AGXT (0.48) BACE1KCNH2HTR7AGXTMAOA
SCHEMBL4533749 0.68 AGXT (0.52) BACE1HTR7AGXT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 BACE1 30/4885NOS1 269/4885NOS2 253/4885

“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.