Lithium Ion

Lithium Ion

SCHEMBL2174269

Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)[O-])cc1.[Li+]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.72
AKT2 P31751 10/20 0.72
AKT3 Q9Y243 6/20 0.72

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
SCHEMBL12420184 0.90 AKT1 (0.76) AKT1AKT2AKT3
SCHEMBL12420186 0.89 AKT1 (0.76) AKT1AKT2AKT3
SCHEMBL2174277 0.89 AKT1 (0.75) AKT1AKT2AKT3
SCHEMBL30815163 0.86 AKT1 (0.82) AKT1AKT2AKT3
SCHEMBL27226003 0.86 AKT1 (0.82) AKT1AKT2AKT3
SCHEMBL2176115 0.85 AKT1 (0.68) AKT1AKT2AKT3
SCHEMBL2191672 0.84 AKT1 (1.00) AKT1AKT2AKT3
SCHEMBL25384085 0.84 AKT1 (0.71) AKT1AKT2AKT3
SCHEMBL30802345 0.84 AKT1 (0.85) AKT1AKT2AKT3
SCHEMBL2175128 0.84 AKT1 (0.85) AKT1AKT2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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 (1 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 AKT1 2285/4885AKT2 1216/4885AKT3 1380/4885

“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.