SCHEMBL2658060

SCHEMBL2658060

COc1ncccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.45
▸ BTK Q06187 1/20 0.36
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MTOR P42345 1/20 0.34
▸ DHFR P00374 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ BMPR1A P36894 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32

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
SCHEMBL2660827 0.98 PIK3CA (0.47) PIK3CABTKGABRG2GABRB3GABRA2
SCHEMBL2660996 0.96 PIK3CA (0.42) PIK3CABTKGABRG2GABRB3GABRA2
SCHEMBL4915461 0.90 PIK3CA (0.39) PIK3CABTKGABRG2GABRB3GABRA2
SCHEMBL13991075 0.90 PIK3CA (0.39) PIK3CABTKGABRG2GABRB3GABRA2
SCHEMBL2669418 0.90 PIK3CA (0.39) PIK3CABTKGABRG2GABRB3GABRA2
SCHEMBL4915466 0.90 PIK3CA (0.39) PIK3CABTKGABRG2GABRB3GABRA2
SCHEMBL2659060 0.89 PIK3CA (0.35) PIK3CAGABRG2GABRB3GABRA2NPY1R
SCHEMBL2655918 0.89 GABRG2 (0.36) PIK3CAGABRG2GABRB3GABRA2NPY1R
SCHEMBL2660334 0.89 PIK3CA (0.39) PIK3CAHCRTR1HCRTR2
SCHEMBL4911805 0.88 BRD9 (0.40) PIK3CAGABRG2GABRB3GABRA2NPY1R

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 7 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
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

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 PIK3CA 3396/4885BTK 2744/4885GABRG2 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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