SCHEMBL2661079

SCHEMBL2661079

COc1cc(F)c(-c2cccc3c(N)c4c(nc23)CN(C2CCCC2)C4=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ POLB P06746 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ TP53 P04637 4/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 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
SCHEMBL2661365 0.96 NPY1R (0.40) NPY1RNPY5RPIK3CAPOLBMAPT
SCHEMBL2660932 0.88 GABRA1 (0.43) NPY1RNPY5RPIK3CAPOLBMAPT
SCHEMBL4921068 0.87 NPY1R (0.39) NPY1RNPY5RPOLBMAPTMAPK1
SCHEMBL4921314 0.86 GABRG2 (0.41) NPY1RNPY5RPIK3CAPOLBMAPK1
SCHEMBL2669504 0.86 GABRG2 (0.41) NPY1RNPY5RPIK3CAPOLBMAPT
SCHEMBL4919174 0.86 NPY1R (0.40) NPY1RNPY5RPOLBMAPTMAPK1
SCHEMBL2669423 0.86 GABRG2 (0.43) NPY1RNPY5RPIK3CAPOLBMAPT
SCHEMBL2669426 0.85 NPY1R (0.40) NPY1RNPY5RPOLBMAPTMAPK1
SCHEMBL4916106 0.85 NPY1R (0.42) NPY1RNPY5RPOLBMAPTTP53
SCHEMBL2657321 0.85 NPY1R (0.40) NPY1RNPY5RMAPK1PDE4AGABRG2

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 6 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
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 NPY1R 126/4885NPY5R 104/4885PIK3CA 3396/4885

“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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