Lithium Ion

Lithium Ion

SCHEMBL4783790

CN1CCN(c2n[nH]c3ccc(C(=O)[O-])cc23)CC1.[Li+]

nearest known ligand 0.44

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
CDC7 O00311 1/20 0.44
CNR1 P21554 3/20 0.43
JAK2 O60674 1/20 0.43
MAPK1 P28482 3/20 0.42
NTRK1 P04629 2/20 0.41
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALK Q9UM73 1/20 0.41
FLT3 P36888 3/20 0.41
MAPK10 P53779 1/20 0.41
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
DYRK1A Q13627 2/20 0.39
KIT P10721 1/20 0.38
LRRK2 Q5S007 2/20 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
Lithium Ion SCHEMBL4783900 0.90 MAPK1 (0.45) CDC7CNR1MAPK1FLT3MAPK10
SCHEMBL4783980 0.87 CNR1 (0.48) CDC7CNR1JAK2MAPK1NTRK1
SCHEMBL4783798 0.86 CNR1 (0.48) CDC7CNR1JAK2MAPK1NTRK1
SCHEMBL22860166 0.77 HRH4 (0.51) CDC7JAK2MAPK1HIF1ALRRK2
SCHEMBL4780938 0.77 MAPK1 (0.48) CDC7CNR1MAPK1FLT3KIT
SCHEMBL4783378 0.76 FLT3 (0.55) CDC7JAK2MAPK1AURKAFLT3
SCHEMBL4783913 0.76 PRKCZ (0.48) CDC7CNR1MAPK1FLT3KIT
SCHEMBL4781802 0.76 MAPT (0.50) CDC7JAK2MAPK1CYP3A4
SCHEMBL9778567 0.76 ALDH1A1 (0.56) CDC7JAK2MAPK1NTRK1
SCHEMBL4785792 0.76 JAK2 (0.54) CDC7CNR1JAK2MAPK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R CDC7 2130/4885CNR1 179/4885JAK2 337/4885

“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.