SCHEMBL1667745

SCHEMBL1667745

COc1cc(Nc2nccc(-c3ccc(OC)c(C#N)c3)n2)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.52
CAMKK2 Q96RR4 5/20 0.52
MAPK8 P45983 4/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
PIK3CA P42336 4/20 0.47
PIK3CB P42338 4/20 0.47
CAMK2D Q13557 3/20 0.47
GSK3B P49841 2/20 0.47
SYK P43405 2/20 0.46
JAK2 O60674 1/20 0.45
EGFR P00533 1/20 0.45
CDK2 P24941 1/20 0.45
PTK2B Q14289 1/20 0.45
IKBKE Q14164 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45

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
SCHEMBL17310458 0.92 SYK (0.54) PIK3CGCAMKK2MAPK8MEN1KMT2A
SCHEMBL12274769 0.90 MEN1 (0.49) PIK3CGCAMKK2MAPK8MEN1KMT2A
SCHEMBL1669787 0.88 MEN1 (0.46) PIK3CGCAMKK2MAPK8MEN1KMT2A
SCHEMBL12274094 0.88 ALDH1A1 (0.51) PIK3CGMEN1KMT2APIK3CAPIK3CB
SCHEMBL12274601 0.87 PRKCA (0.49) PIK3CGCAMKK2MAPK8MEN1KMT2A
SCHEMBL12801200 0.87 PIK3CG (0.54) PIK3CGCAMKK2MAPK8MEN1KMT2A
SCHEMBL12274850 0.86 ABL1 (0.53) MEN1KMT2AEGFRPRKCAPRKCD
SCHEMBL12275333 0.85 TBK1 (0.48) MEN1KMT2AIKBKETBK1
SCHEMBL1667282 0.85 CDK5 (0.54) PIK3CGMEN1KMT2APIK3CAPIK3CB
SCHEMBL12275161 0.85 MEN1 (0.46) PIK3CGMEN1KMT2APIK3CAPIK3CB

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 6 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
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 PIK3CG 207/4885CAMKK2 809/4885MAPK8 550/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB PIK3CG 76/4885CAMKK2 455/4885MAPK8 905/4885

“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.