SCHEMBL1445782

SCHEMBL1445782

COc1ccncc1-c1cc(I)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.43
▸ CYP2C19 P33261 8/20 0.43
▸ CYP2D6 P10635 7/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CLK4 Q9HAZ1 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ MIF P14174 1/20 0.40
▸ CYP2E1 P05181 2/20 0.39

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
SCHEMBL1445133 0.79 CCNT1 (0.60) CYP1A2CYP2C19CYP2D6ALDH1A1HSD17B10
SCHEMBL1444767 0.78 MIF (0.44) MIFCHRNA7
SCHEMBL13472346 0.77 KMO (0.55) CDK9
SCHEMBL1445060 0.73 MIF (0.40) CYP1A2CYP2C19CYP2D6ALDH1A1HSD17B10
SCHEMBL13537102 0.71 SMN1; SMN2 (0.49) CYP1A2CYP2C19CYP2D6ALDH1A1HSD17B10
SCHEMBL1445301 0.70 IKBKE (0.46) CYP1A2CYP2C19CYP2D6CYP3A4KDM4E
SCHEMBL21310813 0.70 KDM4C (0.66) KDM4E
SCHEMBL20813392 0.68 MIF (0.52) CYP2D6CYP3A4CLK4MIF
SCHEMBL20813389 0.68 MIF (0.68) CYP1A2CYP2C19LMNAMIFCYP2C9
SCHEMBL359458 0.67 — —

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 11 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
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 CYP1A2 2331/4885CYP2C19 2294/4885CYP2D6 1843/4885
US-20130177552-A1 METHODS AND COMPOSITIONS FOR MODULATING OCULAR DAMAGE MIF, MMP1, CXCL12 CYP1A2 4706/4885CYP2C19 4789/4885CYP2D6 4860/4885
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 CYP1A2 1929/4885CYP2C19 1805/4885CYP2D6 1735/4885
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 CYP1A2 1929/4885CYP2C19 1805/4885CYP2D6 1735/4885

“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.

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