SCHEMBL4776072

SCHEMBL4776072

C[C@H]1COCCN1c1cc[c]cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ ATR Q13535 16/20 0.43
▸ ATRIP Q8WXE1 11/20 0.40
▸ PDE4D Q08499 5/20 0.40
▸ CHEK1 O14757 5/20 0.40
▸ PDCD1 Q15116 5/20 0.40
▸ CD274 Q9NZQ7 5/20 0.40
▸ MTOR P42345 2/20 0.40

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
SCHEMBL28267155 0.78 MTOR (0.43) PIK3CAMTOR
SCHEMBL8216315 0.78 NSD2 (0.34) PIK3CAATRATRIPMTOR
SCHEMBL8216310 0.78 NSD2 (0.34) PIK3CAATRATRIPMTOR
SCHEMBL28539901 0.76 ATR (0.55) PIK3CDPIK3CAATRATRIPPDE4D
SCHEMBL28539899 0.76 ATR (0.55) PIK3CDPIK3CAATRATRIPPDE4D
SCHEMBL2127456 0.76 ATR (0.55) PIK3CDPIK3CAATRATRIPPDE4D
SCHEMBL29442179 0.76 ATR (0.55) PIK3CDPIK3CAATRATRIPPDE4D
SCHEMBL29947221 0.75 PIK3CA (0.50) PIK3CDPIK3CAATRATRIPPDE4D
SCHEMBL28958536 0.75 PIK3CA (0.50) PIK3CDPIK3CAATRATRIPPDE4D
SCHEMBL15141832 0.73 ATR (0.46) PIK3CDPIK3CAATRATRIPCHEK1

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-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 — — EP claimed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 — — US claimed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 — — WO claimed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 — — EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 — — US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 — — 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A PIK3CD 233/4885PIK3CA 664/4885ATR 3006/4885

“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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