SCHEMBL2661504

SCHEMBL2661504

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ GABRG2 P18507 5/20 0.36
▸ GABRB3 P28472 5/20 0.36
▸ GABRA2 P47869 5/20 0.36
▸ ENPP1 P22413 2/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ CYP27A1 Q02318 1/20 0.34
▸ CYP24A1 Q07973 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL2655963 0.89 PDE4A (0.46) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2661576 0.88 CRHR1 (0.41) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL4913381 0.87 PDE4A (0.40) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2661210 0.86 PARP1 (0.38) LRRK2NPY1RNPY5RGRM5KCNH2
SCHEMBL4912799 0.86 GABRG2 (0.49) GABRG2GABRB3GABRA2ENPP1ENPP3
SCHEMBL2658404 0.85 GABRG2 (0.39) PDE4AGABRG2GABRB3GABRA2ENPP1
SCHEMBL2669415 0.84 GABRG2 (0.43) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2660324 0.84 MAPT (0.37) GABRG2GABRB3GABRA2ENPP1ENPP3
SCHEMBL4921314 0.83 GABRG2 (0.41) PDE4AGABRG2GABRB3GABRA2NPY1R
SCHEMBL2655469 0.83 MAPK1 (0.40) PDE4AGABRG2GABRB3GABRA2NPY1R

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 PDE4A 639/4885LRRK2 81/4885GABRG2 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.

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