SCHEMBL1667530

SCHEMBL1667530

COc1ccc(-c2ccnc(Nc3ccc(NC(=O)NC4CCCC4)cc3)n2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 1/20 0.52
▸ IKBKE Q14164 12/20 0.49
▸ TBK1 Q9UHD2 12/20 0.49
▸ KIT P10721 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 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
SCHEMBL12274595 0.93 GSK3B (0.48) AURKBIKBKETBK1PDGFRAKDM4E
SCHEMBL12274569 0.92 GSK3B (0.47) AURKBIKBKETBK1KITPDGFRA
SCHEMBL12801676 0.87 AURKB (0.55) AURKBKITPDGFRAMEN1KMT2A
SCHEMBL12275002 0.86 GSK3B (0.49) IKBKETBK1MEN1KMT2AKDM4E
SCHEMBL12275003 0.86 GSK3B (0.49) IKBKETBK1MEN1KMT2AKDM4E
SCHEMBL1667130 0.85 MEN1 (0.53) IKBKETBK1MEN1KMT2AALDH1A1
SCHEMBL12276240 0.85 JAK2 (0.60) IKBKETBK1MEN1KMT2AALDH1A1
SCHEMBL12275333 0.84 TBK1 (0.48) IKBKETBK1MEN1KMT2AKDM4E
SCHEMBL12275308 0.84 CCNC (0.46) IKBKETBK1
SCHEMBL12275137 0.83 CCNC (0.45) IKBKETBK1JAK2

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 AURKB 63/4885IKBKE 9/4885TBK1 1/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB AURKB 129/4885IKBKE 7/4885TBK1 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.

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