SCHEMBL2661645

SCHEMBL2661645

COc1ncc(-c2cccc3c(N)c4c(nc23)CN(Cc2ccc3c(c2)OCO3)C4=O)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PDE5A O76074 3/20 0.36
▸ MDM2 Q00987 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ TRAP1 Q12931 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL2661302 0.89 HPGD (0.44) TSHRSMN1; SMN2KMT2APKMHPGD
SCHEMBL2661256 0.88 GABRG2 (0.43) GABRG2GABRB3GABRA2SMN1; SMN2KMT2A
SCHEMBL2661227 0.85 GABRG2 (0.41) GABRG2GABRB3GABRA2TSHRSMN1; SMN2
SCHEMBL2662287 0.83 ALDH1A1 (0.41) GABRG2GABRB3GABRA2TSHRSMN1; SMN2
SCHEMBL2660746 0.83 MAPT (0.46) GABRG2GABRB3GABRA2SMN1; SMN2KMT2A
SCHEMBL2661198 0.80 KMT2A (0.42) TSHRSMN1; SMN2KMT2APKMHPGD
SCHEMBL2661545 0.76 GABRG2 (0.45) GABRG2GABRB3GABRA2KMT2AMDM2
SCHEMBL2661915 0.76 MEN1 (0.38) SMN1; SMN2KMT2APDE5AMAPTALDH1A1
SCHEMBL2657053 0.75 GABRG2 (0.45) GABRG2GABRB3GABRA2MDM2
SCHEMBL2655786 0.74 KDM4E (0.40) TSHRKMT2AGAAMAPTALDH1A1

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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