SCHEMBL1667591

SCHEMBL1667591

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
XDH P47989 3/20 0.49
PIK3CG P48736 4/20 0.47
CDK2 P24941 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
JAK2 O60674 1/20 0.47
EGFR P00533 1/20 0.47
PTK2B Q14289 1/20 0.47
TBK1 Q9UHD2 6/20 0.47
IKBKE Q14164 5/20 0.47
GSK3B P49841 2/20 0.46
CDK4 P11802 1/20 0.46
MAP3K14 Q99558 1/20 0.46
MAPK8 P45983 2/20 0.46
CAMKK2 Q96RR4 2/20 0.46
PRKCQ Q04759 2/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 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) MEN1KMT2APIK3CGCDK2PIK3CA
SCHEMBL1670000 0.91 EGFR (0.60) MEN1KMT2AXDHPIK3CGCDK2
SCHEMBL12275665 0.89 MEN1 (0.46) MEN1KMT2APIK3CGCDK2PIK3CA
SCHEMBL12274588 0.88 MEN1 (0.53) MEN1KMT2AXDHPIK3CGCDK2
SCHEMBL12274218 0.87 MEN1 (0.53) MEN1KMT2APIK3CGCDK2PIK3CA
SCHEMBL12274201 0.86 PIK3CA (0.50) MEN1KMT2APIK3CGCDK2PIK3CA
SCHEMBL1669890 0.86 JAK2 (0.55) MEN1KMT2APIK3CGCDK2PIK3CA
SCHEMBL12275325 0.86 PIK3CA (0.52) MEN1KMT2APIK3CGCDK2PIK3CA
SCHEMBL12274306 0.86 PIK3CA (0.54) MEN1KMT2APIK3CGCDK2PIK3CA
SCHEMBL1667492 0.85 MEN1 (0.51) MEN1KMT2APIK3CGCDK2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US claimed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP claimed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO claimed
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
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 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 (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 MEN1 4367/4885KMT2A 3692/4885XDH 1768/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MEN1 4336/4885KMT2A 1946/4885XDH 1422/4885

“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.