SCHEMBL12275706

SCHEMBL12275706

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.66
DKK1 O94907 2/20 0.60
GSK3B P49841 2/20 0.60
MAPK8 P45983 1/20 0.59
MAPK10 P53779 1/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
JAK2 O60674 1/20 0.51
SMG1 Q96Q15 2/20 0.51
CHUK O15111 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MTOR P42345 1/20 0.49

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
SCHEMBL12275024 0.90 IKBKB (0.58) IKBKBDKK1GSK3BMAPK8JAK2
SCHEMBL1667153 0.87 MEN1 (0.56) IKBKBMEN1KMT2AJAK2
SCHEMBL14253957 0.86 IKBKB (0.71) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3524407 0.86 IKBKB (0.71) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3521925 0.86 IKBKB (0.71) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL12276011 0.84 MEN1 (0.56) GSK3BMEN1KMT2AJAK2
SCHEMBL12274689 0.84 MEN1 (0.56) IKBKBMEN1KMT2AJAK2
SCHEMBL12521628 0.84 MEN1 (0.52) IKBKBMEN1KMT2AJAK2
SCHEMBL12275119 0.84 IKBKB (0.58) IKBKBCHUK
SCHEMBL12276240 0.83 JAK2 (0.60) IKBKBMEN1KMT2AJAK2

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 2 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

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 IKBKB 6/4885DKK1 3411/4885GSK3B 266/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB IKBKB 3/4885DKK1 2911/4885GSK3B 140/4885

“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.