SCHEMBL2658032

SCHEMBL2658032

COc1cccc(-c2cccc3c(N)c4c(nc23)CN(C2=CC=C2)C4=O)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 5/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ RPS6KA2 Q15349 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL2655753 0.92 UGCG (0.39) UGCGGABRG2GABRB3GABRA2ACHE
SCHEMBL2657086 0.91 UGCG (0.36) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL2658318 0.91 GABRG2 (0.37) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL4916255 0.91 GABRG2 (0.33) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL2657233 0.91 GABRA1 (0.43) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2660107 0.87 ALDH1A1 (0.36) UGCGGABRG2GABRB3GABRA2ACHE
SCHEMBL2660596 0.87 HSP90AA1 (0.35) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL2657791 0.87 GABRG2 (0.43) UGCGGABRG2GABRB3GABRA2MEN1
SCHEMBL2660785 0.86 GABRG2 (0.43) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL4919724 0.86 CRHR1 (0.41) GABRG2GABRB3GABRA2GABRA1GABRA5

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 UGCG 2572/4885GABRG2 592/4885GABRB3 332/4885

“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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