SCHEMBL2655469

SCHEMBL2655469

COc1cc(F)c(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4=O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ PDE4A P27815 3/20 0.40
▸ NPY1R P25929 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ DCK P27707 2/20 0.34
▸ MAOA P21397 2/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ POLB P06746 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
SCHEMBL2658184 0.96 PDE4A (0.37) MAPK1PDE4ANPY1RNPY5RGRM5
SCHEMBL2655963 0.91 PDE4A (0.46) MAPK1PDE4ANPY1RNPY5RDCK
SCHEMBL4913381 0.89 PDE4A (0.40) MAPK1PDE4ANPY1RNPY5RDCK
SCHEMBL2662522 0.88 MAPK1 (0.48) MAPK1NPY1RNPY5RMAOAGRM5
SCHEMBL2661690 0.87 GABRA1 (0.44) MAPK1PDE4ANPY1RNPY5RMAOA
SCHEMBL4921314 0.85 GABRG2 (0.41) MAPK1PDE4ANPY1RNPY5RGRM5
SCHEMBL2661365 0.85 NPY1R (0.40) MAPK1PDE4ANPY1RNPY5RGABRG2
SCHEMBL2657321 0.85 NPY1R (0.40) MAPK1PDE4ANPY1RNPY5RGABRG2
SCHEMBL2661576 0.84 CRHR1 (0.41) PDE4ANPY1RNPY5RGRM5GABRG2
SCHEMBL4912799 0.84 GABRG2 (0.49) NPY1RNPY5RGABRG2GABRB3GABRA2

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 MAPK1 3191/4885PDE4A 639/4885NPY1R 126/4885

“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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