SCHEMBL12275201

SCHEMBL12275201

COc1cc(Nc2nccc(-c3cccc(C#N)c3)n2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PIK3CG P48736 4/20 0.58
PIK3CA P42336 3/20 0.58
PIK3CB P42338 3/20 0.58
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP1B1 Q16678 1/20 0.58
CDK5 Q00535 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CDK5R1 Q15078 1/20 0.57
SYK P43405 3/20 0.54
ZAP70 P43403 2/20 0.54
SRC P12931 1/20 0.54
BRD4 O60885 1/20 0.52
CDK4 P11802 2/20 0.51
CDK2 P24941 2/20 0.51
SMG1 Q96Q15 2/20 0.51
GSK3B P49841 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
SCHEMBL12276265 0.92 PIK3CG (0.69) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL1667472 0.91 MEN1 (0.75) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL4736211 0.86 MEN1 (0.55) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274361 0.84 MEN1 (0.56) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274529 0.84 PIK3CG (0.55) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12275292 0.83 CAMKK2 (0.57) MEN1KMT2APIK3CGCYP1A2SYK
SCHEMBL1667082 0.83 SYK (0.60) MEN1KMT2APIK3CGCYP1A2SYK
SCHEMBL12801643 0.82 CDK5 (0.82) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL4732715 0.82 PIK3CG (0.61) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12274916 0.82 MEN1 (0.53) MEN1KMT2APIK3CGPIK3CAPIK3CB

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-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

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 MEN1 4367/4885KMT2A 3692/4885PIK3CG 207/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MEN1 4336/4885KMT2A 1946/4885PIK3CG 76/4885

“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.