SCHEMBL2657798

SCHEMBL2657798

COc1cccc(-c2cccc3c(N)c4c(nc23)CN(C2=CC=C2)C4=O)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.37
▸ HSP90AB1 P08238 5/20 0.37
▸ TRAP1 Q12931 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ TGFBR1 P36897 3/20 0.32
▸ TGFBR2 P37173 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
SCHEMBL2657425 0.87 BRD9 (0.32) HSP90AA1HSP90AB1
SCHEMBL2656461 0.87 BRD9 (0.41) —
SCHEMBL2655753 0.84 UGCG (0.39) —
SCHEMBL2655858 0.84 PIK3CA (0.38) —
SCHEMBL2655529 0.83 GABRG2 (0.35) BTK
SCHEMBL2657651 0.83 BRD4 (0.34) TGFBR1
SCHEMBL2658032 0.83 UGCG (0.33) BACE1
SCHEMBL2655369 0.82 GRM5 (0.33) GRM5
SCHEMBL2656934 0.82 PIK3CA (0.38) BTK
SCHEMBL2657132 0.81 ENPP1 (0.31) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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 HSP90AA1 4097/4885HSP90AB1 4007/4885TRAP1 4578/4885

“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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