SCHEMBL1669854

SCHEMBL1669854

COc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc(C#N)c1OC1CCN(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.58
JAK3 P52333 8/20 0.58
JAK1 P23458 4/20 0.51
TBK1 Q9UHD2 4/20 0.51
TYK2 P29597 2/20 0.50
BMPR1B O00238 1/20 0.50
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
GAK O14976 1/20 0.50
OPA1 O60313 1/20 0.50
ROCK2 O75116 1/20 0.50
STK16 O75716 1/20 0.50
PRKD3 O94806 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CDK2 P24941 1/20 0.50
MARK3 P27448 1/20 0.50
BMPR1A P36894 1/20 0.50
TGFBR1 P36897 1/20 0.50
STAT3 P40763 1/20 0.50
STAT5A P42229 1/20 0.50

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
SCHEMBL1667762 0.92 TBK1 (0.57) JAK2JAK3JAK1TBK1TYK2
SCHEMBL1669864 0.91 TBK1 (0.57) JAK2JAK3JAK1TBK1TYK2
SCHEMBL1667262 0.91 JAK2 (0.61) JAK2JAK3TBK1MAPK8MAPK10
SCHEMBL1667231 0.88 JAK2 (0.59) JAK2JAK3TBK1MAPK8MAPK10
SCHEMBL1667417 0.88 TBK1 (0.63) JAK2JAK3JAK1TBK1IKBKE
SCHEMBL1667759 0.84 TBK1 (0.56) JAK2JAK3TBK1IKBKE
SCHEMBL31060514 0.84 TBK1 (0.56) JAK2JAK3TBK1IKBKE
SCHEMBL12275606 0.83 TBK1 (0.70) JAK2TBK1IKBKE
SCHEMBL12521967 0.81 JAK2 (0.60) JAK2JAK3JAK1TBK1TYK2
SCHEMBL1667705 0.81 TBK1 (0.62) JAK2JAK3JAK1TBK1IKBKE

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 4 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-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 476/4885JAK1 353/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB JAK2 458/4885JAK3 197/4885JAK1 100/4885

“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.