SCHEMBL2657187

SCHEMBL2657187

COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 2/20 0.47
▸ BRD7 Q9NPI1 2/20 0.47
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ MAPKAPK2 P49137 1/20 0.33
▸ PLAU P00749 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAB1 Q9Y478 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
SCHEMBL2655626 0.88 BRD9 (0.43) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL2656316 0.87 BRD9 (0.42) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL2657993 0.86 BRD9 (0.41) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL2656461 0.85 BRD9 (0.41) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL4911805 0.85 BRD9 (0.40) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL2659903 0.85 BRD9 (0.40) BRD9BRD7GABRG2GABRB3GABRA2
SCHEMBL2656734 0.82 BACE1 (0.38) GABRG2GABRB3GABRA2MAPKAPK2METAP2
SCHEMBL4916340 0.81 CRHR1 (0.44) GABRG2GABRB3GABRA2CYP1A2KDM4E
SCHEMBL2661488 0.80 GRM2 (0.41) GABRG2GABRB3GABRA2HRH4PRKAG1
SCHEMBL4925336 0.79 HRH4 (0.40) MAPKAPK2KDM4EALDH1A1HPGDHRH4

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
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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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 BRD9 3751/4885BRD7 2250/4885GABRG2 592/4885

“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.

Send feedback