Sugi Predict

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Lithium Ion

Lithium Ion

SCHEMBL930352

Cc1ccc(-c2cc(C(=O)[O-])nc(N(C)C)n2)o1.[Li+]

nearest known ligand 0.56

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 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.56
▸ ADORA1 P30542 16/20 0.56
▸ KAT8 Q9H7Z6 1/20 0.43
▸ POLB P06746 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MCL1 Q07820 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ PLIN1 O60240 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 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
SCHEMBL2764032 0.86 ADORA2A (0.58) ADORA2AADORA1KAT8POLBKDM4E
Lithium SCHEMBL930354 0.85 ADORA2A (0.57) ADORA2AADORA1KAT8POLBKDM4E
SCHEMBL930353 0.85 ADORA2A (0.57) ADORA2AADORA1KAT8POLBKDM4E
SCHEMBL2763166 0.73 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL2763030 0.73 ADORA2A (1.00) ADORA2AADORA1HPGDADORA3ADORA2B
SCHEMBL2763436 0.72 ADORA2A (0.52) ADORA2AADORA1KAT8MAPTADORA3
SCHEMBL2763435 0.72 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929564 0.71 ALDH1A1 (0.45) ADORA2AADORA1KAT8POLBKDM4E
SCHEMBL2763938 0.71 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL929260 0.67 ADORA2A (0.60) ADORA2AADORA1KAT8ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875600-B2 Pyrimidine compounds as purine receptor antagonist VERNALIS (R&D) LIMITED (GB) 2011-01-25 — — US disclosed
US-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide VERNALIS (R & D ) LIMITED (GB) 2007-12-06 — — US disclosed
EP-1720553-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R&D) LTD (GB) 2006-11-15 — — EP disclosed
WO-2005079801-A1 PYRIMIDINE COMPOUNDS AS PURINE RECEPTOR ANTAGONIST VERNALIS (R & D) LTD (GB) 2005-09-01 — — 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-20070281936-A1 To reducte the purinergic neurotransmission; Parkinson's disease; dyskinesias; Movement disorders; Adenosine receptors antagonists; 2-Methylamino-6-(5-methyl-2-furyl)-N-(2-pyridylmethyl)pyrimidine-4-carboxamide ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885KAT8 4076/4885

“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.