SCHEMBL2655882

SCHEMBL2655882

COc1ncccc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.36
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MDM2 Q00987 2/20 0.32
▸ KCNA3 P22001 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL2655656 0.88 GRM5 (0.33) —
SCHEMBL2656934 0.87 PIK3CA (0.38) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2660488 0.87 GABRG2 (0.48) GABRG2GABRB3GABRA2
SCHEMBL2657622 0.86 UGCG (0.35) GABRG2GABRB3GABRA2
SCHEMBL2659065 0.85 GABRG2 (0.34) GABRG2GABRB3GABRA2TP53MDM2
SCHEMBL4916255 0.85 GABRG2 (0.33) GABRG2GABRB3GABRA2
SCHEMBL2656682 0.84 GABRG2 (0.36) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2661625 0.83 GABRG2 (0.39) MTORGABRG2GABRB3GABRA2PIK3CA
SCHEMBL2655965 0.83 GABRG2 (0.40) GABRG2GABRB3GABRA2
SCHEMBL2657278 0.82 GABRG2 (0.32) 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 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 MTOR 2672/4885GABRG2 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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