SCHEMBL12274201

SCHEMBL12274201

COc1ccc(Nc2nccc(-c3ccc(OC(C)(C)C)c(C#N)c3)n2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.50
▸ PIK3CB P42338 4/20 0.50
▸ PIK3CG P48736 4/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ JAK2 O60674 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ PTK2B Q14289 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TBK1 Q9UHD2 9/20 0.47
▸ IKBKE Q14164 8/20 0.47
▸ CDK4 P11802 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.46
▸ DYRK1A Q13627 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ PRKCQ Q04759 2/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ PRKCB P05771 1/20 0.44

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
SCHEMBL12276011 0.92 MEN1 (0.56) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL12274306 0.88 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL12274218 0.87 MEN1 (0.53) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL1667591 0.86 MEN1 (0.50) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL12275325 0.86 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL1669890 0.86 JAK2 (0.55) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL1667492 0.85 MEN1 (0.51) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL12274815 0.85 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL12801546 0.85 PIK3CG (0.53) PIK3CAPIK3CBPIK3CGCDK2JAK2
SCHEMBL12274038 0.85 MEN1 (0.53) PIK3CAPIK3CBPIK3CGCDK2JAK2

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 — — US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 — — US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 — — 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK PIK3CA 131/4885PIK3CB 199/4885PIK3CG 207/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB PIK3CA 77/4885PIK3CB 66/4885PIK3CG 76/4885

“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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