SCHEMBL2659073

SCHEMBL2659073

COc1cncc(-c2cccc3c(N)c4c(nc23)CN(C2=CC=C2)C4=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 10/20 0.36
▸ CYP11B2 P19099 10/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ PDE9A O76083 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNB3 Q05901 1/20 0.32
▸ PIM1 P11309 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
SCHEMBL2655790 0.85 GABRG2 (0.37) HRH4
SCHEMBL2656398 0.84 GABRG2 (0.33) —
SCHEMBL2661039 0.84 BACE1 (0.33) BACE1BACE2HRH4PRMT5WDR77
SCHEMBL2657132 0.84 ENPP1 (0.31) HRH4
SCHEMBL4912616 0.83 GABRG2 (0.48) BACE1
SCHEMBL2655858 0.83 PIK3CA (0.38) —
SCHEMBL4919724 0.83 CRHR1 (0.41) —
SCHEMBL4919239 0.82 KDM4E (0.37) CYP11B1CYP11B2CYP17A1BACE1BACE2
SCHEMBL2657023 0.82 GABRG2 (0.37) —
SCHEMBL2656158 0.82 ADORA2A (0.32) HRH4ADORA2AADORA1

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
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO claimed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF CYP11B1 406/4885CYP11B2 381/4885CYP17A1 432/4885

“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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