SCHEMBL6005497

SCHEMBL6005497

CC(=O)c1cc(=O)c2ccccc2o1.Cc1cc(C(C)O)c2oc(-c3ccncc3)cc(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.58
▸ PIK3CA P42336 1/20 0.58
▸ PIK3CB P42338 1/20 0.58
▸ PIK3CG P48736 1/20 0.58
▸ TNKS O95271 7/20 0.45
▸ PARP1 P09874 3/20 0.45
▸ TNKS2 Q9H2K2 3/20 0.45
▸ PARP2 Q9UGN5 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CFTR P13569 2/20 0.45
▸ CYP1B1 Q16678 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 3/20 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
SCHEMBL910336 0.86 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL24912684 0.80 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGTNKS
SCHEMBL909859 0.75 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL909776 0.74 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL30002937 0.73 PIK3CA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL909694 0.73 PIK3CA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
Alcohol SCHEMBL6004304 0.73 PIK3CA (0.61) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL910282 0.72 PIK3CA (0.75) PIK3CDPIK3CAPIK3CBPIK3CGCFTR
SCHEMBL30434657 0.72 PIK3CA (0.74) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25219256 0.72 PIK3CA (0.74) PIK3CDPIK3CAPIK3CBPIK3CG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276470-A1 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy ASTRAZENECA AB (SE) 2006-12-07 — — 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-20060276470-A1 (+-)-7-Methyl-2-morpholin-4-yl-9-(1-phenylaminoethyl)-pyrido[1,2-a]pyrimidin-4-one, for example; selective inhibitors of phosphoinositide (PI) 3-kinase beta for use in anti-thrombotic therapy PI4KA, PI4KB, PI4K2B PIK3CD 15/4885PIK3CA 16/4885PIK3CB 8/4885

“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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