SCHEMBL1444762

SCHEMBL1444762

NC(=O)c1cncc(-c2cc(I)ncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.44
MKNK2 Q9HBH9 7/20 0.44
MIF P14174 1/20 0.44
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 2/20 0.41
DGAT1 O75907 1/20 0.39
MAP4K4 O95819 2/20 0.38
KMO O15229 1/20 0.36
PIM1 P11309 1/20 0.36
CHEK2 O96017 1/20 0.35
HPGDS O60760 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SARM1 Q6SZW1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
SIRT4 Q9Y6E7 1/20 0.34

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
SCHEMBL2598684 0.85 MIF (0.44) MKNK1MKNK2MIFKMO
SCHEMBL1445810 0.80 MIF (0.57) MIFKMOPIM1CHEK2HPGDS
SCHEMBL1445299 0.80 MIF (0.56) MKNK1MKNK2MIFMAP4K4KMO
SCHEMBL17547132 0.78 MKNK1 (0.47) MKNK1MKNK2CYP11B2CYP11B1DGAT1
SCHEMBL6754398 0.76 MKNK1 (0.67) MKNK1MKNK2CYP11B2CYP11B1DGAT1
SCHEMBL1445834 0.72 DYRK1A (0.44) MIFCYP11B2
SCHEMBL15344114 0.72 CYP2A6 (0.56) MKNK1MKNK2CYP11B2CYP11B1MAP4K4
SCHEMBL31301228 0.71 CHEK2 (0.59) MKNK1MKNK2CYP11B2CYP11B1PIM1
SCHEMBL1445252 0.71 MIF (0.38) MKNK1MKNK2MIFMAP4K4CHEK2
SCHEMBL28334001 0.71 CHEK2 (0.59) MKNK1MKNK2CYP11B2CYP11B1PIM1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US claimed
US-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS ADVANCED CANCER THERAPEUTICS, LLC 2013-03-28 US claimed
EP-2480235-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS University Of Louisville Research Foundation, Inc. (US) 2012-08-01 EP claimed
WO-2011038234-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-03-31 WO claimed
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2018-01-11 US disclosed
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US disclosed
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US disclosed
US-9162987-B2 Iodo pyrimidine derivatives useful for the treatment of macrophage migration inhibitory factor (MIF)-implicated diseases and conditions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-20 US disclosed
US-9162987-B2 Iodo pyrimidine derivatives useful for the treatment of macrophage migration inhibitory factor (MIF)-implicated diseases and conditions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-20 US disclosed
US-9155790-B2 Methods and compositions for modulating ocular damage University of Lousiville Research Foundation, Inc. (US) 2015-10-13 US disclosed
US-20130177552-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-07-11 US disclosed
US-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS ADVANCED CANCER THERAPEUTICS, LLC 2013-03-28 US disclosed
US-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS ADVANCED CANCER THERAPEUTICS, LLC 2013-03-28 US disclosed
EP-2480235-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS University Of Louisville Research Foundation, Inc. (US) 2012-08-01 EP disclosed
WO-2011038234-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-03-31 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 (4 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-20130079361-A1 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS MIF, MSR1, CCL2 MKNK1 2433/4885MKNK2 2014/4885MIF 1/4885
US-20130177552-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE MIF, MMP1, CXCL12 MKNK1 778/4885MKNK2 910/4885MIF 1/4885
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 MKNK1 2880/4885MKNK2 2474/4885MIF 1/4885
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 MKNK1 2880/4885MKNK2 2474/4885MIF 1/4885

“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.