SCHEMBL1667930

SCHEMBL1667930

N#Cc1cc(-c2ccnc(Cl)n2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
AAK1 Q2M2I8 1/20 0.46
XDH P47989 1/20 0.46
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
F11 P03951 1/20 0.40
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
USP7 Q93009 2/20 0.37
CYP11B2 P19099 1/20 0.36

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
SCHEMBL1667712 0.82 KMO (0.48) KMOAAK1CYP11B2
SCHEMBL3756448 0.82 KMO (0.48) KMOAAK1ESR1ESR2MEN1
SCHEMBL29998142 0.79 CYP11B2 (0.58) KMOCYP11B2
SCHEMBL3753115 0.79 CYP11B2 (0.58) KMOCYP11B2
SCHEMBL1667622 0.79 AAK1 (0.53) KMOAAK1F11MEN1KMT2A
SCHEMBL435611 0.77 KMO (0.52) KMOAAK1CYP11B2
SCHEMBL27881108 0.76 AAK1 (0.48) KMOAAK1MEN1MAPTKMT2A
SCHEMBL3751504 0.76 KMO (0.43) KMOAAK1MEN1KMT2A
SCHEMBL4378433 0.74 MEN1 (0.48) KMOMEN1MAPTKMT2ACYP11B2
SCHEMBL12522195 0.74 AAK1 (0.49) KMOAAK1XDHMAPT

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 16 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP disclosed
CN-102791697-A Amino-pyrimidine compounds as inhibitors of TBKL and/or IKK epsilon MYREXIS INC 2012-11-21 CN disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO 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 (3 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 KMO 3814/4885AAK1 210/4885XDH 3281/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK KMO 1315/4885AAK1 646/4885XDH 1768/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB KMO 705/4885AAK1 262/4885XDH 1422/4885

“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.