SCHEMBL2658404

SCHEMBL2658404

COc1ccc(Cl)c(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4=O)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 7/20 0.39
▸ GABRB3 P28472 7/20 0.39
▸ GABRA2 P47869 7/20 0.39
▸ NPY1R P25929 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SCN1A P35498 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL4912799 0.90 GABRG2 (0.49) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4913381 0.89 PDE4A (0.40) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2661576 0.88 CRHR1 (0.41) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2660942 0.88 MAPK1 (0.35) PDE4ACNR1
SCHEMBL2655963 0.87 PDE4A (0.46) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669562 0.86 GABRG2 (0.51) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2659973 0.86 GABRG2 (0.49) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4921314 0.86 GABRG2 (0.41) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2661504 0.85 PDE4A (0.37) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669415 0.85 GABRG2 (0.43) GABRG2GABRB3GABRA2NPY1RNPY5R

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 9 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
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
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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