SCHEMBL4930995

SCHEMBL4930995

NC1N=CC=CC1(N)Cc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.47
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ SLC6A4 P31645 1/20 0.36
▸ CHRNB2 P17787 6/20 0.36
▸ CHRNB4 P30926 6/20 0.36
▸ CHRNA3 P32297 6/20 0.36
▸ CHRNA7 P36544 6/20 0.36
▸ CHRNA4 P43681 6/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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 0.91 BACE1 (0.52) BACE1SLC6A4CHRNB4CHRNA3CHRNA7
SCHEMBL4938958 0.90 BACE1 (0.46) BACE1SLC6A4CHRNB4CHRNA3CHRNA7
SCHEMBL4941269 0.85 BACE1 (0.55) BACE1NOS3NOS1NOS2SLC6A4
SCHEMBL4934778 0.83 CYP11B1 (0.46) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL4938952 0.81 MEN1 (0.45) NOS3NOS1NOS2SLC6A4HTR1A
SCHEMBL4941246 0.81 NR4A2 (0.36) BACE1CHRNB4CHRNA3CHRNA7
SCHEMBL4934637 0.80 LTA4H (0.43) BACE1CHRNA7HTR1ACDK2
SCHEMBL4941227 0.80 BACE1 (0.44) BACE1SLC6A4CHRNB4CHRNA3CHRNA7
SCHEMBL4938851 0.75 CHRNB2 (0.41) BACE1CHRNB2CHRNA4HTR1ADYRK1A
SCHEMBL8265032 0.72 BACE1 (0.85) BACE1NOS3NOS1NOS2SLC6A4

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-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
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

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 30/4885NOS3 318/4885NOS1 269/4885

“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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