SCHEMBL4938958

SCHEMBL4938958

NC1N=CC=CC1(N)Cc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.46
▸ CYP17A1 P05093 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ SLC6A4 P31645 1/20 0.33
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA10 Q9GZZ6 1/20 0.32
▸ CHRNA9 Q9UGM1 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL4934023 0.92 BACE1 (0.52) BACE1SLC6A4CHRNB4CHRNA3CHRNA7
SCHEMBL4930995 0.90 BACE1 (0.47) BACE1SLC6A4CHRNB4CHRNA3CHRNA7
SCHEMBL4941269 0.86 BACE1 (0.55) BACE1SLC6A4
SCHEMBL4941246 0.83 NR4A2 (0.36) BACE1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL4934637 0.83 LTA4H (0.43) BACE1CHRNA7
SCHEMBL4941227 0.79 BACE1 (0.44) BACE1SLC6A4CHRNB4CHRNA3CHRNA7
SCHEMBL4935919 0.69 BACE1 (0.35) BACE1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL8265056 0.69 BACE1 (0.88) BACE1CYP17A1CYP11B1CYP11B2
SCHEMBL5247113 0.66 BACE1 (0.67) BACE1
SCHEMBL4930710 0.63 MEN1 (0.43) —

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 4 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

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 30/4885CYP17A1 3858/4885CYP11B1 1873/4885

“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.

Send feedback