SCHEMBL1667304

SCHEMBL1667304

COc1ccc(N)cc1OCCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.49
EHMT2 Q96KQ7 1/20 0.49
EPHX2 P34913 5/20 0.48
TLR9 Q9NR96 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
NR1H2 P55055 1/20 0.45
PDE4B Q07343 1/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
KMT5A Q9NQR1 1/20 0.44
ACHE P22303 1/20 0.44
HTR4 Q13639 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CFTR P13569 1/20 0.43
DRD3 P35462 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
SCHEMBL7005111 0.95 DRD3 (0.48) NSD2EHMT2EPHX2NR1H2PDE4B
SCHEMBL18910793 0.87 EPHX2 (0.48) NSD2EHMT2EPHX2TLR9TLR7
SCHEMBL18910796 0.85 EPHX2 (0.47) NSD2EHMT2EPHX2TLR9TLR7
SCHEMBL1669652 0.84 GPR119 (0.55) PDE4B
SCHEMBL12448368 0.84 ALDH1A1 (0.52) NSD2EHMT2EPHX2TLR9TLR7
SCHEMBL12522269 0.83 TLR9 (0.51) EHMT2TLR9TLR7HRH2HRH1
SCHEMBL18910879 0.82 EPHX2 (0.59) EPHX2HRH2HRH1
SCHEMBL22118030 0.82 HTR1B (0.52) EPHX2NR1H2ALDH1A1KDM4ETDP1
SCHEMBL168388 0.81 AXL (0.71)
SCHEMBL30764769 0.80 EHMT2 (0.50) EHMT2KDM4EDRD3

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-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-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
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 NSD2 2630/4885EHMT2 4307/4885EPHX2 2474/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB NSD2 1624/4885EHMT2 3526/4885EPHX2 2974/4885

“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.