SCHEMBL12275151

SCHEMBL12275151

CN(C)c1ccc(Nc2nccc(-c3cccc(C#N)c3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PLK1 P53350 3/20 0.52
SYK P43405 2/20 0.51
CDK4 P11802 3/20 0.51
CDK2 P24941 3/20 0.51
IKBKB O14920 2/20 0.51
SMG1 Q96Q15 1/20 0.51
CCNE1 P24864 2/20 0.50
AURKA O14965 1/20 0.50
CDK1 P06493 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
AURKB Q96GD4 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
ABL1 P00519 1/20 0.48

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
SCHEMBL12522374 0.90 JAK2 (0.60) BRD4MEN1KMT2APLK1SYK
SCHEMBL1667082 0.86 SYK (0.60) BRD4MEN1KMT2APLK1SYK
SCHEMBL12274499 0.85 PLK1 (0.73) BRD4MEN1KMT2APLK1SYK
SCHEMBL1667086 0.85 PLK1 (0.68) BRD4MEN1KMT2APLK1SYK
SCHEMBL12275241 0.85 PLK1 (0.61) BRD4MEN1KMT2APLK1SYK
SCHEMBL1667472 0.84 MEN1 (0.75) BRD4MEN1KMT2APLK1CDK4
SCHEMBL12274527 0.84 BRD4 (0.54) BRD4MEN1KMT2APLK1SYK
SCHEMBL12275887 0.83 IKBKB (0.60) BRD4MEN1KMT2APLK1SYK
SCHEMBL12274360 0.82 SYK (0.62) BRD4MEN1KMT2APLK1SYK
SCHEMBL12522362 0.81 PLK1 (0.51) BRD4MEN1KMT2APLK1CDK2

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 7 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
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 BRD4 2022/4885MEN1 4367/4885KMT2A 3692/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB BRD4 1228/4885MEN1 4336/4885KMT2A 1946/4885

“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.