Sugi Predict

Sugi Predict / Compounds / Lisofylline

Lisofylline

Lisofylline

SCHEMBL173236

[2H]C([2H])([2H])C(O)C([2H])([2H])CCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.62
▸ TNF P01375 4/20 0.62
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ ACHE P22303 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ PDE4B Q07343 1/20 0.62
▸ PDE4C Q08493 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ CHIT1 Q13231 1/20 0.54
▸ CHIA Q9BZP6 1/20 0.54
▸ AKR1B1 P15121 1/20 0.52
▸ GLA P06280 1/20 0.51
▸ BLM P54132 1/20 0.51

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
Lisofylline SCHEMBL6876106 1.00 ADORA2B (0.62) ADORA2BTNFUSP2LMNACYP1A2
Pcs-499 SCHEMBL173235 1.00 ADORA2B (0.62) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL6877251 0.95 ADORA2B (0.57) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL6878645 0.93 ADORA2B (0.65) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL6879511 0.93 ADORA2B (0.65) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL6878616 0.93 ADORA2B (0.65) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL173557 0.91 ADORA2B (0.50) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL6876201 0.91 ADORA2B (0.50) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL6876196 0.91 ADORA2B (0.50) ADORA2BTNFUSP2LMNACYP1A2
Lisofylline SCHEMBL15423008 0.90 ADORA2B (0.58) ADORA2BTNFUSP2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324564-A1 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-12-05 — — US claimed
EP-2611807-A2 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE Concert Pharmaceuticals Inc. (US) 2013-07-10 — — EP claimed
WO-2012031138-A9 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-05-02 — — WO claimed
WO-2012031138-A2 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE CONCERT PHARMACEUTICALS, INC. (US) 2012-03-08 — — WO claimed
US-20130324564-A1 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-12-05 — — US disclosed
WO-2013159006-A1 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3,7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-10-24 — — WO disclosed
WO-2013159006-A1 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3,7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-10-24 — — WO disclosed
WO-2013159006-A1 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3,7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-10-24 — — WO disclosed
EP-2611807-A2 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE Concert Pharmaceuticals Inc. (US) 2013-07-10 — — EP disclosed
EP-2611807-A2 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE Concert Pharmaceuticals Inc. (US) 2013-07-10 — — EP disclosed
WO-2012031138-A9 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-05-02 — — WO disclosed
WO-2012031138-A9 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-05-02 — — WO disclosed
WO-2012031138-A3 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE CONCERT PHARMACEUTICALS, INC. (US) 2013-03-21 — — WO disclosed
WO-2012031138-A2 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE CONCERT PHARMACEUTICALS, INC. (US) 2012-03-08 — — WO disclosed
WO-2012031138-A2 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE CONCERT PHARMACEUTICALS, INC. (US) 2012-03-08 — — 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-20130324564-A1 POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)-DIONE ADORA1, ADORA2A, ADORA3 ADORA2B 9/4885TNF 3712/4885USP2 3922/4885

“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.