SCHEMBL4915466

SCHEMBL4915466

COc1ncccc1-c1cccc2c(N)c3c(nc12)CN([C@H]1C[C@H](C)C1)C3=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.39
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ MTOR P42345 2/20 0.34
▸ BTK Q06187 1/20 0.34
▸ NPY1R P25929 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ ADORA2A P29274 4/20 0.32
▸ FPR1 P21462 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ MDM2 Q00987 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
SCHEMBL2669418 1.00 PIK3CA (0.39) PIK3CAGABRG2GABRB3GABRA2MTOR
SCHEMBL4915461 1.00 PIK3CA (0.39) PIK3CAGABRG2GABRB3GABRA2MTOR
SCHEMBL13991075 1.00 PIK3CA (0.39) PIK3CAGABRG2GABRB3GABRA2MTOR
SCHEMBL2660996 0.92 PIK3CA (0.42) PIK3CAGABRG2GABRB3GABRA2MTOR
SCHEMBL2658060 0.90 PIK3CA (0.45) PIK3CAGABRG2GABRB3GABRA2MTOR
SCHEMBL2660827 0.90 PIK3CA (0.47) PIK3CAGABRG2GABRB3GABRA2MTOR
SCHEMBL13991074 0.83 GABRG2 (0.34) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL8103339 0.83 GABRG2 (0.34) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4916839 0.83 GABRG2 (0.34) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4916846 0.83 GABRG2 (0.34) 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 2 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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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 3396/4885GABRG2 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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