SCHEMBL4941246

SCHEMBL4941246

CN(C)CCOc1ccc(-c2ccc3cc[nH]c3c2)cc1CC1(N)C=CC=NC1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 3/20 0.36
▸ BACE1 P56817 2/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ ESR1 P03372 3/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ MPO P05164 1/20 0.31
▸ TPO P07202 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ ABL1 P00519 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
SCHEMBL4934637 0.85 LTA4H (0.43) BACE1CHRNA7KDRCDK1ADORA2A
SCHEMBL4934023 0.84 BACE1 (0.52) BACE1CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL4938958 0.83 BACE1 (0.46) BACE1CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL4941269 0.82 BACE1 (0.55) BACE1
SCHEMBL4930995 0.81 BACE1 (0.47) BACE1CHRNA7CHRNB4CHRNA3
SCHEMBL4941227 0.75 BACE1 (0.44) BACE1CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL4935919 0.72 BACE1 (0.35) BACE1CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL8264482 0.68 BACE1 (0.73) NR4A2BACE1ROCK2S1PR1KDR
SCHEMBL4930710 0.66 MEN1 (0.43) —
SCHEMBL4940521 0.62 KMT2A (0.46) —

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 NR4A2 2010/4885BACE1 30/4885CHRNA7 46/4885

“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