SCHEMBL1669890

SCHEMBL1669890

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.55
FLT3 P36888 1/20 0.55
JAK3 P52333 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PIK3CA P42336 4/20 0.49
PIK3CG P48736 4/20 0.49
PIK3CB P42338 3/20 0.49
CDK2 P24941 2/20 0.49
EGFR P00533 2/20 0.49
PTK2B Q14289 1/20 0.49
TBK1 Q9UHD2 6/20 0.48
IKBKE Q14164 5/20 0.48
CDK4 P11802 1/20 0.48
GSK3B P49841 1/20 0.48
KDR P35968 1/20 0.46
PLK1 P53350 1/20 0.46
PTK2 Q05397 1/20 0.46
AURKB Q96GD4 1/20 0.46
PRKCQ Q04759 2/20 0.46

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 0.91 MEN1 (0.56) JAK2FLT3MEN1KMT2APIK3CA
SCHEMBL12274218 0.88 MEN1 (0.53) JAK2FLT3MEN1KMT2APIK3CA
SCHEMBL12275325 0.88 PIK3CA (0.52) JAK2FLT3MEN1KMT2APIK3CA
SCHEMBL12274306 0.88 PIK3CA (0.54) JAK2FLT3MEN1KMT2APIK3CA
SCHEMBL1667492 0.87 MEN1 (0.51) JAK2FLT3JAK3MEN1KMT2A
SCHEMBL12274201 0.86 PIK3CA (0.50) JAK2FLT3MEN1KMT2APIK3CA
SCHEMBL1667483 0.86 JAK2 (0.51) JAK2FLT3MEN1KMT2APIK3CA
SCHEMBL1667591 0.86 MEN1 (0.50) JAK2MEN1KMT2APIK3CAPIK3CG
SCHEMBL12275484 0.84 JAK2 (0.48) JAK2JAK3MEN1KMT2APIK3CA
SCHEMBL12274038 0.84 MEN1 (0.53) JAK2FLT3MEN1KMT2APIK3CA

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 JAK2 1160/4885FLT3 1468/4885JAK3 476/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885FLT3 499/4885JAK3 197/4885

“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.