SCHEMBL4935919

SCHEMBL4935919

COc1ccc(-c2ccc3cc[nH]c3c2)cc1CC1(N)C=CC(C)=NC1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.35
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ PRKCQ Q04759 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ MAP3K11 Q16584 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
SCHEMBL4938722 0.81 BACE1 (0.42) BACE1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL4937884 0.80 KIT (0.35) MAPT
SCHEMBL4940431 0.80 BACE1 (0.37) BACE1KMT2AMAPK1
SCHEMBL4937325 0.79 BACE1 (0.38) BACE1CHRNA7MEN1KMT2APOLB
SCHEMBL4931079 0.77 MC4R (0.37) MEN1KMT2APOLBMAPT
SCHEMBL4941246 0.72 NR4A2 (0.36) BACE1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL4941269 0.70 BACE1 (0.55) BACE1SYKAPPMAPT
SCHEMBL4934023 0.70 BACE1 (0.52) BACE1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL4938958 0.69 BACE1 (0.46) BACE1CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL4934637 0.69 LTA4H (0.43) BACE1CHRNA7PRKCQMAP3K11

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 30/4885CHRNB4 57/4885CHRNA3 63/4885

“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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