SCHEMBL4916846

SCHEMBL4916846

COc1ccc(-c2cccc3c(N)c4c(nc23)CN([C@H]2C[C@H](C)C2)C4=O)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ HSP90AA1 P07900 2/20 0.32
▸ HSP90AB1 P08238 2/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.31
▸ BRD7 Q9NPI1 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL13991074 1.00 GABRG2 (0.34) GABRG2GABRB3GABRA2HSP90AA1HSP90AB1
SCHEMBL8103339 1.00 GABRG2 (0.34) GABRG2GABRB3GABRA2HSP90AA1HSP90AB1
SCHEMBL4916839 1.00 GABRG2 (0.34) GABRG2GABRB3GABRA2HSP90AA1HSP90AB1
SCHEMBL2669400 0.90 PIK3CA (0.35) HSP90AA1HSP90AB1NPY1RNPY5RBRD9
SCHEMBL13991075 0.83 PIK3CA (0.39) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4915461 0.83 PIK3CA (0.39) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669418 0.83 PIK3CA (0.39) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4915466 0.83 PIK3CA (0.39) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669417 0.81 GABRG2 (0.43) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4911805 0.81 BRD9 (0.40) 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 GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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