Sugi Predict

Sugi Predict / Compounds / Lithium Ion

Lithium Ion

Lithium Ion

SCHEMBL3255078

O=C([O-])c1cc2c(Cl)nc(-c3ccccc3)nc2n1S(=O)(=O)c1ccccc1.[Li+]

nearest known ligand 0.39

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
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ GBA1 P04062 5/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ HTT P42858 4/20 0.36
▸ SRC P12931 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3251937 0.91 CCR2 (0.43) KMT2AMEN1MAPTMCOLN3GBA1
SCHEMBL3255081 0.90 CCR2 (0.42) KMT2AMEN1MAPTMCOLN3GBA1
SCHEMBL7745780 0.86 NOD2 (0.39) KMT2AMEN1GBA1ALDH1A1ACLY
SCHEMBL13548724 0.82 LMNA (0.42) KMT2AMEN1MAPTMCOLN3GBA1
SCHEMBL13548767 0.81 MAPK1 (0.45) HTTALDH1A1LMNAPOLBTSHR
SCHEMBL13548766 0.79 PGR (0.41) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL13550308 0.79 MEN1 (0.38) KMT2AMEN1MAPTMCOLN3GBA1
SCHEMBL21481581 0.75 ALDH1A1 (0.41) MAPTCCR2HTTSRCALDH1A1
SCHEMBL3255296 0.72 CYP2C19 (0.48) KMT2AMEN1MAPTMCOLN3GBA1
SCHEMBL3250474 0.71 MAPK14 (0.41) KMT2AMEN1GBA1CCR2HTT

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
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 — — EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 — — US disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 — — 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 (2 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B KMT2A 1528/4885MEN1 3661/4885MAPT 4776/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 KMT2A 2399/4885MEN1 4584/4885MAPT 4865/4885

“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.