SCHEMBL2655742

SCHEMBL2655742

COc1ccc(F)c(-c2c(F)ccc3c(N)c4c(nc23)CN(C2CC2)C4=O)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.37
▸ GABRG2 P18507 7/20 0.36
▸ GABRB3 P28472 7/20 0.36
▸ GABRA2 P47869 7/20 0.36
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90B1 P14625 1/20 0.32
▸ TRAP1 Q12931 1/20 0.32
▸ TOP2A P11388 1/20 0.31
▸ TOP2B Q02880 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CFD P00746 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 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
SCHEMBL2660960 0.90 PDE4A (0.41) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2661051 0.89 MAPK1 (0.38) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2662193 0.89 MAPK1 (0.39) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL4916018 0.87 GABRG2 (0.43) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2669536 0.87 NPY1R (0.41) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2661842 0.86 GABRG2 (0.42) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2662167 0.86 HSP90AA1 (0.34) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2655799 0.86 GABRG2 (0.52) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2661662 0.86 CNR1 (0.39) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL4916245 0.85 GABRG2 (0.37) 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 PDE4A 639/4885GABRG2 592/4885GABRB3 332/4885

“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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