SCHEMBL4931182

SCHEMBL4931182

NC1N=CC=CC1(N)Cc1cccc(-c2cncnc2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.38
▸ DHFR P00374 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ GRM2 Q14416 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ CYP2A6 P11509 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ AGXT P21549 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
SCHEMBL4933092 0.89 EPHX2 (0.44) BACE1DHFREPHX2PRMT6CYP2A6
SCHEMBL4938118 0.87 AGXT (0.42) BACE1AGXT
SCHEMBL4939325 0.83 BACE1 (0.45) BACE1
SCHEMBL4933098 0.81 CYP2A6 (0.35) CYP2A6
SCHEMBL30612277 0.81 — —
SCHEMBL4931268 0.80 PRMT6 (0.44) PRMT6
SCHEMBL4941227 0.78 BACE1 (0.44) BACE1CTSLKCNH2
SCHEMBL20553211 0.77 MAOA (0.39) —
SCHEMBL4935935 0.75 HSD17B10 (0.37) —
SCHEMBL4938110 0.75 IDO1 (0.38) KCNH2AGXT

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 claimed
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 30/4885DHFR 905/4885SCN8A 1128/4885

“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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