SCHEMBL1667472

SCHEMBL1667472

COc1ccc(Nc2nccc(-c3cccc(C#N)c3)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
CDK5 Q00535 2/20 0.70
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
CDK5R1 Q15078 1/20 0.70
PIK3CG P48736 6/20 0.61
PIK3CA P42336 5/20 0.61
PIK3CB P42338 5/20 0.61
BRD4 O60885 1/20 0.54
IKBKB O14920 3/20 0.54
PLK1 P53350 1/20 0.52
CDK1 P06493 2/20 0.52
KDR P35968 1/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
CCND1 P24385 1/20 0.52

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
SCHEMBL12275201 0.91 MEN1 (0.61) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL12276265 0.90 PIK3CG (0.69) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL12274361 0.87 MEN1 (0.56) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4736211 0.86 MEN1 (0.55) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL1667082 0.86 SYK (0.60) MEN1KMT2APIK3CGBRD4IKBKB
SCHEMBL12275887 0.85 IKBKB (0.60) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL1667086 0.85 PLK1 (0.68) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL12275241 0.85 PLK1 (0.61) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL12274499 0.85 PLK1 (0.73) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL12275151 0.84 BRD4 (0.54) MEN1KMT2ACDK5NPC1RAB9A

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 13 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
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
CN-102791697-A Amino-pyrimidine compounds as inhibitors of TBKL and/or IKK epsilon MYREXIS INC 2012-11-21 CN 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
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 MEN1 4367/4885KMT2A 3692/4885CDK5 306/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MEN1 4336/4885KMT2A 1946/4885CDK5 229/4885

“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.