SCHEMBL1667404

SCHEMBL1667404

N#Cc1cccc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.62
CDK1 P06493 10/20 0.62
MTOR P42345 8/20 0.62
SMG1 Q96Q15 7/20 0.62
CDK2 P24941 8/20 0.61
CHUK O15111 1/20 0.58
PIK3CA P42336 1/20 0.57
PIK3CG P48736 1/20 0.57
SYK P43405 2/20 0.56
CCNT1 O60563 3/20 0.55
CCNB1 P14635 3/20 0.55
CDK9 P50750 3/20 0.55
CCNA2 P20248 2/20 0.55
CDK7 P50613 2/20 0.55
CCNH P51946 2/20 0.55
CCNA1 P78396 2/20 0.55
SLC2A1 P11166 1/20 0.54
DKK1 O94907 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL6752979 0.84 CAMK2D (0.67) IKBKBCDK1MTORSMG1CDK2
SCHEMBL7471938 0.83 ABL1 (0.70) IKBKBCDK1MTORSMG1CDK2
SCHEMBL1667082 0.83 SYK (0.60) IKBKBSMG1CDK2CHUKPIK3CG
SCHEMBL7524252 0.82 CDK1 (0.69) IKBKBCDK1MTORSMG1CDK2
SCHEMBL6752978 0.82 CDK1 (0.66) IKBKBCDK1MTORSMG1CDK2
SCHEMBL12275024 0.81 IKBKB (0.58) IKBKBCDK1MTORSMG1CDK2
SCHEMBL6508664 0.81 CAMK2D (0.69) CDK1MTORSMG1CDK2SYK
SCHEMBL1667452 0.81 SYK (0.58) IKBKBSMG1CDK2CHUKSYK
SCHEMBL12448809 0.81 SYK (0.55) IKBKBSMG1CDK2CHUKSYK
SCHEMBL12275241 0.80 PLK1 (0.61) IKBKBSMG1CDK2CHUKSYK

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-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
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 6/4885CDK1 157/4885MTOR 67/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB IKBKB 3/4885CDK1 312/4885MTOR 136/4885

“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.