SCHEMBL909736

SCHEMBL909736

Cc1cc(C(C)OS(C)(=O)=O)c2oc(-c3ccncc3)cc(=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.60
▸ PIK3CA P42336 1/20 0.60
▸ PIK3CB P42338 1/20 0.60
▸ PIK3CG P48736 1/20 0.60
▸ CYP1A2 P05177 4/20 0.47
▸ CYP1A1 P04798 4/20 0.47
▸ CYP1B1 Q16678 4/20 0.47
▸ CSNK2A2 P19784 8/20 0.45
▸ CSNK2B P67870 8/20 0.45
▸ CSNK2A1 P68400 8/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ CFTR P13569 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ QPCT Q16769 1/20 0.39
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37

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
Alcohol SCHEMBL6005491 0.95 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL24912995 0.89 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL909859 0.82 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL910336 0.82 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
Alcohol SCHEMBL6004304 0.77 PIK3CA (0.61) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL6132106 0.75 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL30002937 0.75 PIK3CA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL909694 0.75 PIK3CA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL910015 0.74 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCYP1A2
SCHEMBL29202702 0.73 PIK3CA (0.34) PIK3CDPIK3CAPIK3CBPIK3CGCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872011-B2 Inhibition of phosphoinositide 3-kinase β ASTRAZENECA AB (SE) 2011-01-18 — — US disclosed
US-7598377-B2 (+-)-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) 2009-10-06 — — US disclosed
US-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta KINACIA PTY. LTD. (AU) 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-20080319021-A1 Inhibition Of Phosphoinositide 3-Kinase Beta PI4KB, PI4KA, PI4K2B PIK3CD 8/4885PIK3CA 11/4885PIK3CB 4/4885

“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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