SCHEMBL4937832

SCHEMBL4937832

Nc1cccc(-c2cccc(CC3(N)C=CC=NC3N)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAP4K4 O95819 5/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ PSIP1 O75475 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ MECP2 P51608 1/20 0.33
▸ AGXT P21549 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ FYN P06241 1/20 0.30
▸ MAOB P27338 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL4938118 0.90 AGXT (0.42) CYP19A1CYP11B1CYP11B2MAOAAGXT
SCHEMBL4931182 0.85 BACE1 (0.38) AGXT
SCHEMBL4933092 0.84 EPHX2 (0.44) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL4931268 0.81 PRMT6 (0.44) —
SCHEMBL4933098 0.81 CYP2A6 (0.35) —
SCHEMBL4941227 0.79 BACE1 (0.44) MAOAMAOB
SCHEMBL20553211 0.79 MAOA (0.39) MAOAMAOB
SCHEMBL4939325 0.79 BACE1 (0.45) CYP3A4CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL4939700 0.78 MAP4K4 (0.35) CYP17A1CYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL4935935 0.77 HSD17B10 (0.37) —

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 CYP17A1 3858/4885CYP3A4 2640/4885CYP19A1 4199/4885

“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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