SCHEMBL8264955

SCHEMBL8264955

Nc1ncccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 1.00
▸ LTA4H P09960 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ MMP9 P14780 1/20 0.40
▸ TNK2 Q07912 1/20 0.39
▸ CCR5 P51681 1/20 0.38
▸ MRGPRX1 Q96LB2 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL8265056 0.94 BACE1 (0.88) BACE1LTA4HMAPK14MMP9TNK2
SCHEMBL8265032 0.92 BACE1 (0.85) BACE1
SCHEMBL8265066 0.90 BACE1 (1.00) BACE1TNK2CCR5
SCHEMBL8264482 0.84 BACE1 (0.73) BACE1TNK2
SCHEMBL8265368 0.83 BACE1 (0.71) BACE1LTA4HTNK2ADORA2AADORA1
SCHEMBL14007526 0.82 BACE1 (0.69) BACE1LTA4HMAPK14
SCHEMBL8265251 0.81 BACE1 (1.00) BACE1ADORA2AADORA1
SCHEMBL29941423 0.81 BACE1 (1.00) BACE1ADORA2AADORA1
SCHEMBL5247113 0.80 BACE1 (0.67) BACE1LTA4HMAPK14TNK2ADORA2A
SCHEMBL8264459 0.79 BACE1 (0.66) BACE1LTA4HMAPK14

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-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
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 30/4885LTA4H 1470/4885MAPK14 1589/4885

“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