SCHEMBL2655216

SCHEMBL2655216

CN1Cc2nc3c(Br)cccc3c(N)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.39
▸ ROCK2 O75116 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ TYMS P04818 1/20 0.31
▸ CHRNE Q04844 1/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ PDE7A Q13946 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
SCHEMBL2655615 0.84 LMNA (0.41) HRH4PARP1ADORA1ALDH1A1KDM4E
SCHEMBL2656853 0.84 HRH4 (0.38) HRH4ADORA1ALDH1A1KDM4EGLA
SCHEMBL2657499 0.84 HRH4 (0.38) HRH4ADORA1ALDH1A1KDM4EGLA
SCHEMBL2660878 0.81 PARP1 (0.38) HRH4PARP1ADORA1KDM4E
SCHEMBL2655482 0.80 HRH4 (0.34) HRH4ADORA1ALDH1A1ACHEBACE1
SCHEMBL2661049 0.80 HRH4 (0.37) HRH4PARP1ADORA1
SCHEMBL4917176 0.80 HRH4 (0.37) HRH4PARP1ADORA1
SCHEMBL2656347 0.80 MAPKAPK2 (0.38) MAPKAPK2ROCK2
SCHEMBL4921710 0.79 PARP1 (0.40) HRH4PARP1ADORA1ALDH1A1KDM4E
SCHEMBL2660900 0.79 PARP1 (0.38) HRH4PARP1ADORA1ALDH1A1KDM4E

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 3 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 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 HRH4 167/4885MAPKAPK2 3690/4885ROCK2 1949/4885

“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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