SCHEMBL2656934

SCHEMBL2656934

COc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.38
▸ MTOR P42345 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MDM2 Q00987 2/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ KCNA3 P22001 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL2656588 0.89 — —
SCHEMBL2655687 0.89 GABRG2 (0.33) GABRG2GABRB3GABRA2MDM2
SCHEMBL2656461 0.88 BRD9 (0.41) GABRG2GABRB3GABRA2
SCHEMBL2655882 0.87 MTOR (0.36) PIK3CAMTORBTKHRH4GABRG2
SCHEMBL2655790 0.87 GABRG2 (0.37) HRH4GABRG2GABRB3GABRA2
SCHEMBL2657053 0.86 GABRG2 (0.45) GABRG2GABRB3GABRA2TP53MDM2
SCHEMBL2655753 0.85 UGCG (0.39) GABRG2GABRB3GABRA2TP53NPC1
SCHEMBL2658826 0.85 GRM5 (0.30) —
SCHEMBL2656102 0.85 GABRG2 (0.34) GABRG2GABRB3GABRA2
SCHEMBL2655529 0.84 GABRG2 (0.35) BTKGABRG2GABRB3GABRA2MAPT

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 PIK3CA 3396/4885MTOR 2672/4885BTK 2744/4885

“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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