SCHEMBL1667329

SCHEMBL1667329

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.48
▸ JAK2 O60674 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ IKBKE Q14164 9/20 0.47
▸ TBK1 Q9UHD2 9/20 0.47
▸ AAK1 Q2M2I8 1/20 0.46
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ ABL1 P00519 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ PRKCA P17252 1/20 0.42

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
SCHEMBL1667536 0.95 JAK2 (0.47) JAK3JAK2MEN1KMT2AIKBKE
SCHEMBL12274596 0.92 ABL1 (0.49) JAK3JAK2IKBKETBK1AAK1
SCHEMBL12275388 0.92 IKBKE (0.45) JAK3JAK2MEN1KMT2AIKBKE
SCHEMBL1667392 0.91 JAK2 (0.46) JAK3JAK2MEN1KMT2AIKBKE
SCHEMBL12274908 0.88 ABL1 (0.48) JAK3JAK2IKBKETBK1AAK1
SCHEMBL12274962 0.87 IKBKE (0.44) JAK3JAK2MEN1KMT2AIKBKE
SCHEMBL12801680 0.86 IKBKB (0.50) JAK3JAK2MEN1KMT2AABL1
SCHEMBL12276240 0.86 JAK2 (0.60) JAK3JAK2MEN1KMT2AIKBKE
SCHEMBL1667130 0.86 MEN1 (0.53) JAK3JAK2MEN1KMT2AIKBKE
SCHEMBL1667264 0.85 TBK1 (0.66) IKBKETBK1

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 JAK3 476/4885JAK2 1160/4885MEN1 4367/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK3 197/4885JAK2 458/4885MEN1 4336/4885

“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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