SCHEMBL2658045

SCHEMBL2658045

COc1cc(C)c(-c2c(F)ccc3c(N)c4c(nc23)CN(C2=CC=C2)C4=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ ORAI1 Q96D31 1/20 0.33
▸ PIK3CA P42336 5/20 0.31
▸ MTOR P42345 4/20 0.31
▸ EED O75530 1/20 0.31
▸ RBBP4 Q09028 1/20 0.31
▸ SUZ12 Q15022 1/20 0.31
▸ EZH2 Q15910 1/20 0.31
▸ AEBP2 Q6ZN18 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
SCHEMBL2657148 0.87 MTOR (0.35) GABRG2GABRB3GABRA2PIK3CAMTOR
SCHEMBL2656719 0.85 GABRG2 (0.39) GABRG2GABRB3GABRA2
SCHEMBL2659065 0.84 GABRG2 (0.34) GABRG2GABRB3GABRA2
SCHEMBL2658971 0.83 GABRG2 (0.39) GABRG2GABRB3GABRA2
SCHEMBL2660626 0.83 GABRG2 (0.37) GABRG2GABRB3GABRA2
SCHEMBL2660488 0.83 GABRG2 (0.48) GABRG2GABRB3GABRA2
SCHEMBL2655965 0.83 GABRG2 (0.40) GABRG2GABRB3GABRA2
SCHEMBL2669389 0.82 PIK3CA (0.38) GABRG2GABRB3GABRA2ORAI1PIK3CA
SCHEMBL2655369 0.82 GRM5 (0.33) GABRG2GABRB3GABRA2
SCHEMBL2657622 0.81 UGCG (0.35) GABRG2GABRB3GABRA2

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 GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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