SCHEMBL1667602

SCHEMBL1667602

COc1cc(Nc2nccc(-c3ccc(NC(=O)C(C)C)c(C#N)c3)n2)ccc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.54
JAK3 P52333 9/20 0.54
TBK1 Q9UHD2 2/20 0.51
ZAP70 P43403 1/20 0.49
JAK1 P23458 2/20 0.49
TNIK Q9UKE5 3/20 0.48
KCNH2 Q12809 2/20 0.48
IGF1R P08069 1/20 0.47

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
SCHEMBL12801249 0.89 JAK2 (0.58) JAK2JAK3ZAP70IGF1R
SCHEMBL12274504 0.88 JAK2 (0.64) JAK2JAK3TBK1JAK1
SCHEMBL1667010 0.87 TBK1 (0.47) JAK2JAK3TBK1ZAP70
SCHEMBL12275644 0.86 ABL1 (0.53) JAK2JAK3TBK1JAK1
SCHEMBL12274975 0.86 ABL1 (0.53) JAK2JAK3TBK1JAK1
SCHEMBL1668203 0.86 JAK2 (0.59) JAK2JAK3TBK1ZAP70TNIK
SCHEMBL13279889 0.85 JAK2 (0.52) JAK2JAK3TBK1ZAP70JAK1
SCHEMBL12274750 0.83 IKBKE (0.48) JAK2JAK3TBK1JAK1
SCHEMBL12276247 0.83 JAK2 (0.63) JAK2JAK3TBK1JAK1
SCHEMBL12275217 0.82 JAK2 (0.62) JAK2JAK3TBK1JAK1

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 1160/4885JAK3 476/4885TBK1 1/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885JAK3 197/4885TBK1 1/4885

“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.