SCHEMBL1667020

SCHEMBL1667020

CC1(COc2ccc(-c3ccnc(Nc4ccc(N5CCN(CCO)CC5)cc4)n3)cc2C#N)COC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.60
TBK1 Q9UHD2 10/20 0.60
IKBKE Q14164 4/20 0.52
JAK3 P52333 5/20 0.48
JAK1 P23458 2/20 0.47
ACVR1 Q04771 1/20 0.46

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
SCHEMBL1667666 0.90 TBK1 (0.65) JAK2TBK1IKBKEJAK3JAK1
SCHEMBL1667257 0.86 JAK2 (0.52) JAK2TBK1IKBKEJAK3JAK1
SCHEMBL1667858 0.85 TBK1 (0.65) JAK2TBK1IKBKE
SCHEMBL12274853 0.84 TBK1 (0.71) JAK2TBK1IKBKE
SCHEMBL1669708 0.81 JAK2 (0.65) JAK2TBK1IKBKEJAK3JAK1
SCHEMBL12274261 0.81 TBK1 (0.67) JAK2TBK1IKBKE
SCHEMBL12275700 0.80 TBK1 (0.64) JAK2TBK1IKBKEJAK3JAK1
SCHEMBL1667071 0.80 JAK2 (0.62) JAK2TBK1IKBKEJAK3JAK1
SCHEMBL13279866 0.80 TBK1 (0.51) JAK2TBK1IKBKE
SCHEMBL12274745 0.79 JAK2 (0.51) JAK2TBK1IKBKEJAK3JAK1

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 7 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
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 JAK2 1160/4885TBK1 1/4885IKBKE 9/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885TBK1 1/4885IKBKE 7/4885

“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.