SCHEMBL4941227

SCHEMBL4941227

NC1N=CC=CC1(N)Cc1cccc(-c2ccc3cc[nH]c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.44
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PRKACA P17612 3/20 0.36
▸ PRKACG P22612 3/20 0.36
▸ PRKACB P22694 3/20 0.36
▸ CDK8 P49336 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CHRNA7 P36544 3/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA10 Q9GZZ6 1/20 0.33
▸ CHRNA9 Q9UGM1 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ MPO P05164 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 0.83 BACE1 (0.52) BACE1ADORA2AADORA1CHRNA7CHRNB4
SCHEMBL4938118 0.81 AGXT (0.42) BACE1KDM1AMAOAMPO
SCHEMBL4938722 0.81 BACE1 (0.42) BACE1ADORA2AADORA1PRKACAPRKACG
SCHEMBL4930995 0.80 BACE1 (0.47) BACE1CHRNA7KDM1ACHRNB4CHRNA3
SCHEMBL4937832 0.79 CYP17A1 (0.36) MAOAMAOB
SCHEMBL4938958 0.79 BACE1 (0.46) BACE1CHRNA7CHRNB4CHRNA3CHRNA10
SCHEMBL4931182 0.78 BACE1 (0.38) BACE1CTSLKCNH2
SCHEMBL4941269 0.77 BACE1 (0.55) BACE1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4933092 0.77 EPHX2 (0.44) BACE1KDM1A
SCHEMBL4933098 0.76 CYP2A6 (0.35) NPC1

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 30/4885ADORA2A 316/4885ADORA1 120/4885

“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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