SCHEMBL14007526

SCHEMBL14007526

Nc1ncccc1NCc1cc(-c2cccnc2)ccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.69
▸ CYP11B1 P15538 3/20 0.50
▸ CYP11B2 P19099 3/20 0.50
▸ CYP19A1 P11511 2/20 0.50
▸ LTA4H P09960 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ USP2 O75604 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43

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
SCHEMBL8264459 0.85 BACE1 (0.66) BACE1LTA4HMAPK14ALDH1A1LMNA
SCHEMBL8264446 0.82 BACE1 (0.63) BACE1LTA4HMAPK14ALDH1A1LMNA
SCHEMBL8264955 0.82 BACE1 (1.00) BACE1LTA4HMAPK14
SCHEMBL8265032 0.81 BACE1 (0.85) BACE1ALDH1A1POLBCLK4NOS3
SCHEMBL14007515 0.81 MEN1 (0.53) BACE1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14007525 0.80 BACE1 (0.53) BACE1LTA4HPDPK1
SCHEMBL5244112 0.79 CYP11B1 (0.52) BACE1CYP11B1CYP11B2CYP19A1LTA4H
SCHEMBL8264992 0.79 BACE1 (0.60) BACE1LTA4HMAPK14ALDH1A1LMNA
SCHEMBL8264924 0.79 BACE1 (1.00) BACE1ALDH1A1LMNAUSP2CYP1A2
SCHEMBL29941429 0.79 BACE1 (1.00) BACE1ALDH1A1LMNAUSP2CYP1A2

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 2 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

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 30/4885CYP11B1 1873/4885CYP11B2 1313/4885

“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.

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