SCHEMBL1445834

SCHEMBL1445834

CC(=O)Nc1cncc(-c2cc(I)ncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.44
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK2 Q92630 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CYP11B2 P19099 1/20 0.41
MIF P14174 1/20 0.41
FYN P06241 4/20 0.40
DOT1L Q8TEK3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
BRAF P15056 2/20 0.38
GSK3B P49841 1/20 0.38
PIP4K2A P48426 2/20 0.38
PIP4K2B P78356 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1445231 0.81 SMN1; SMN2 (0.55) MIFFYNL3MBTL1BRAFNPC1
SCHEMBL14804510 0.77 MIF (0.42) MIF
SCHEMBL13165650 0.73 LMNA (0.52) DYRK1AFYNL3MBTL1PIP4K2APIP4K2B
SCHEMBL2598684 0.72 MIF (0.44) MIF
SCHEMBL19706539 0.68 DYRK1A (0.48) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL19706498 0.68 PIK3CG (0.51) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL31311343 0.67 HSD17B10 (0.53) DYRK1AL3MBTL1GSK3BNPC1RAB9A
SCHEMBL7668126 0.67 HSD17B10 (0.53) DYRK1AL3MBTL1GSK3BNPC1RAB9A
SCHEMBL13692813 0.67 LMNA (0.61) DYRK1ACLK1CLK2DYRK2CLK4
SCHEMBL1444763 0.66 MIF (0.65) CLK4MIF

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-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-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
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-2011146824-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-11-24 WO 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 DYRK1A 3578/4885CLK1 3958/4885CLK2 3141/4885
US-20130177552-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE MIF, MMP1, CXCL12 DYRK1A 4240/4885CLK1 2811/4885CLK2 3119/4885
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 DYRK1A 3709/4885CLK1 3432/4885CLK2 2583/4885
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 DYRK1A 3709/4885CLK1 3432/4885CLK2 2583/4885

“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.