Meglumine

Meglumine

SCHEMBL371153

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TACR1TTRgyrAgyrBparCparE

The experimentally established mechanism targets of Meglumine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ KMT2A Q03164 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ BMP1 P13497 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
Meglumine SCHEMBL11777 1.00 KDM4E (0.53) KDM4ESMN1; SMN2USP2SLCO1B1PDE4A
SCHEMBL31038965 0.82 USP2 (0.43) KDM4EUSP2SLCO1B1PDE4AKMT2A
SCHEMBL23388718 0.82 USP2 (0.43) KDM4EUSP2SLCO1B1PDE4AKMT2A
SCHEMBL30721492 0.82 USP2 (0.43) KDM4EUSP2SLCO1B1PDE4AKMT2A
SCHEMBL31370383 0.80 KDM4E (0.43) KDM4ESMN1; SMN2USP2SLCO1B1PDE4A
SCHEMBL8139 0.80 KMT2A (0.50) KMT2AALOX15BLMPMP22MMP2
SCHEMBL154381 0.80 KMT2A (0.50) KMT2AALOX15BLMPMP22MMP2
SCHEMBL8140 0.80 KMT2A (0.50) KMT2AALOX15BLMPMP22MMP2
Hydrochloric Acid SCHEMBL22978412 0.78 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2
Hydrochloric Acid SCHEMBL23834101 0.78 KMT2A (0.48) KMT2AALOX15BLMPMP22MMP2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015168135-A1 NOVEL THIOAMIDE-MODIFIED PEPTIDES AND USES THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-11-05 — — WO disclosed
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 — — US disclosed
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 — — US disclosed
US-8106069-B2 Pyrrolo[2,3-b]pyridine derivatives active as kinase inhibitors and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-01-31 — — US disclosed
US-20120014918-A1 ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2012-01-19 — — US disclosed
EP-2406225-A1 ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall S.A. (ES) 2012-01-18 — — EP disclosed
WO-2011143587-A1 NITRO FATTY ACIDS - NEUROPROTECTION AND/OR INHIBITION OF COGNITIVE DECLINE NITROMEGA CORP. (US) 2011-11-17 — — WO disclosed
EP-2376492-A1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2011-10-19 — — EP disclosed
US-8038984-B2 Membrane-permeant peptide complexes for treatment of sepsis WASHINGTON UNIVERSITY (US) 2011-10-18 — — US disclosed
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L (IT) 2011-10-13 — — US disclosed
WO-2011092120-A1 6,7- DIHYDROIMIDAZO [1,5-A] PYRAZIN-8 (5H) - ONE DERIVATIVES AS PROTEIN KINASE MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-08-04 — — WO disclosed
US-20110190224-A1 Non-Viral Delivery of Compounds to Mitochondria PAYNE R MARK 2011-08-04 — — US disclosed
US-20110183971-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-07-28 — — US disclosed
WO-2011072132-A1 METHODS OF TREATING INFLAMMATORY CONDITIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 — — WO disclosed
WO-2011067145-A1 TRICYCLOPYRAZOLE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-09 — — WO disclosed
US-20110136857-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2011-06-09 — — US disclosed
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-19 — — US disclosed
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 — — US disclosed
EP-2300436-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS Nerviano Medical Sciences S.r.l. (IT) 2011-03-30 — — EP disclosed
US-7888508-B2 3-(carboxy or carbamoyl)-5-amino-1H-pyrrolo(2,3-b)pyridines; cancer, Alzheimer's disease, viral infections, autoimmune diseases and neurodegenerative disorders; chemical libraries of these compounds PFIZER ITALIA S.R.L. (IT) 2011-02-15 — — 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 (5 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-20110183971-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MAP3K1, PDPK1, MAP3K15 KDM4E 946/4885SMN1; SMN2 1587/4885USP2 3499/4885
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES PDK1, PDPK1, CDK3 KDM4E 998/4885SMN1; SMN2 834/4885USP2 3498/4885
US-20110136857-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K6, MAP3K3, MAP3K15 KDM4E 652/4885SMN1; SMN2 1555/4885USP2 1029/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 KDM4E 623/4885SMN1; SMN2 4039/4885USP2 3597/4885
US-20120014918-A1 ADDITION SALTS OF AMINES CONTAINING HYDROXYL AND/OR CARBOXYLIC GROUPS WITH AMINO NICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DAO, ADH1B KDM4E 3178/4885SMN1; SMN2 2107/4885USP2 2982/4885

“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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