SCHEMBL1669928

SCHEMBL1669928

COc1cc(Nc2nccc(-c3ccc(O)c(C#N)c3)n2)ccc1N1CCNC(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.52
JAK2 O60674 7/20 0.49
JAK3 P52333 2/20 0.49
ZAP70 P43403 9/20 0.46
PRKD3 O94806 2/20 0.46
PRKCG P05129 2/20 0.46
PRKCB P05771 2/20 0.46
LCK P06239 2/20 0.46
PRKCA P17252 2/20 0.46
PRKCH P24723 2/20 0.46
PRKCI P41743 2/20 0.46
PRKCE Q02156 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCZ Q05513 2/20 0.46
PRKCD Q05655 2/20 0.46
PRKD1 Q15139 2/20 0.46
EGFR P00533 1/20 0.46
FLT3 P36888 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL1667253 0.93 TBK1 (0.54) TBK1JAK2JAK3ZAP70PRKD3
SCHEMBL12275103 0.90 TBK1 (0.49) TBK1JAK2JAK3ZAP70PRKD3
SCHEMBL12274385 0.88 TBK1 (0.56) TBK1JAK2JAK3ZAP70PRKD3
SCHEMBL12274144 0.88 TBK1 (0.55) TBK1JAK2JAK3ZAP70PRKD3
SCHEMBL1667010 0.87 TBK1 (0.47) TBK1JAK2JAK3ZAP70PRKD3
SCHEMBL12274697 0.85 TBK1 (0.60) TBK1JAK2
SCHEMBL12275821 0.83 JAK2 (0.56) TBK1JAK2JAK3ZAP70PRKD3
SCHEMBL1669890 0.81 JAK2 (0.55) TBK1JAK2JAK3ZAP70PRKD3
SCHEMBL12275482 0.80 TBK1 (0.50) TBK1JAK2JAK3ZAP70CCNA2
SCHEMBL12801539 0.79 ZAP70 (0.53) TBK1JAK2ZAP70PRKD3PRKCG

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 8 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
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 TBK1 1/4885JAK2 1160/4885JAK3 476/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB TBK1 1/4885JAK2 458/4885JAK3 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.