SCHEMBL910086

SCHEMBL910086

Cc1cc(C(C)Nc2cccc(C(F)(F)F)c2)c2oc(-c3ccncc3)cc(=O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 6/20 0.76
▸ PIK3CA P42336 6/20 0.76
▸ PIK3CD O00329 2/20 0.76
▸ PIK3CG P48736 2/20 0.76
▸ PRKDC P78527 1/20 0.44
▸ CYP1A1 P04798 4/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP1B1 Q16678 4/20 0.40
▸ CFTR P13569 2/20 0.40
▸ TDO2 P48775 1/20 0.39
▸ CSNK2A2 P19784 2/20 0.39
▸ CSNK2B P67870 2/20 0.39
▸ CSNK2A1 P68400 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL30002937 0.86 PIK3CA (1.00) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL909694 0.86 PIK3CA (1.00) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL3994804 0.79 PIK3CA (0.72) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL910282 0.77 PIK3CA (0.75) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL909882 0.77 PIK3CA (0.68) PIK3CBPIK3CAPIK3CDPIK3CGCYP1A1
SCHEMBL13547022 0.76 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL910161 0.76 PIK3CA (0.80) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL25219256 0.75 PIK3CA (0.74) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL30434657 0.75 PIK3CA (0.74) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC
SCHEMBL24913339 0.75 PIK3CA (0.56) PIK3CBPIK3CAPIK3CDPIK3CGPRKDC

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 4 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
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 (2 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 PIK3CB 4/4885PIK3CA 11/4885PIK3CD 8/4885
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 PIK3CB 8/4885PIK3CA 16/4885PIK3CD 15/4885

“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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