SCHEMBL757112

SCHEMBL757112

Cn1cnc2c1c(=O)n(CCCCCCO)c(=O)n2C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.72
▸ TNF P01375 4/20 0.72
▸ USP2 O75604 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ ACHE P22303 1/20 0.72
▸ PDE4A P27815 1/20 0.72
▸ PMP22 Q01453 1/20 0.72
▸ PDE4B Q07343 1/20 0.72
▸ PDE4C Q08493 1/20 0.72
▸ PDE4D Q08499 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.72
▸ CHIT1 Q13231 1/20 0.62
▸ CHIA Q9BZP6 1/20 0.62
▸ GLA P06280 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ AKR1B1 P15121 1/20 0.59

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
SCHEMBL6779191 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6348648 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6778535 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8072134 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8062483 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL9294255 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8077706 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL8076183 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6774095 1.00 ADORA2B (0.72) ADORA2BTNFUSP2LMNACYP1A2
SCHEMBL6786397 1.00 ADORA2B (0.72) 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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000066101-A2 METHOD OF INHIBITING GLYCATION PRODUCT FORMATION CITY OF HOPE (US) 2000-11-09 — — WO claimed
US-5288721-A Substituted epoxyalkyl xanthines CELL THERAPEUTICS, INC. (US) 1994-02-22 — — US claimed
US-9278098-B2 Substituted phthalazines for inducing insulin secretion and protecting beta-cells UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-03-08 — — US disclosed
EP-2325169-B1 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES Univ Virginia Patent Found (US) 2015-10-07 — — EP disclosed
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-06-18 — — US disclosed
EP-2132183-B1 LISOFYLLINE ANALOGS AND METHODS FOR USE Univ Virginia Patent Found (US) 2015-06-03 — — EP disclosed
US-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 — — US disclosed
US-8871764-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-10-28 — — US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 — — US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 — — US disclosed
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-05-30 — — US disclosed
WO-1994022863-A9 SECOND MESSENGER CELL SIGNALING INHIBITORS — 1994-12-22 — — WO disclosed
EP-0623133-A1 SUBSTITUTED AMINO ALKYL COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-11-09 — — EP disclosed
WO-1994022449-A1 THERAPEUTIC COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-10-13 — — WO disclosed
WO-1994022863-A1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1994-10-13 — — WO disclosed
WO-1994011370-A1 SUBSTITUTED AMINO ALKYL COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 — — WO disclosed
US-5288721-A Substituted epoxyalkyl xanthines CELL THERAPEUTICS, INC. (US) 1994-02-22 — — US disclosed
US-4576947-A HYDROXYALKYLXANTHINES, INCREASING CEREBRAL BLOOD FLOW, BRONCHODILATORS HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-18 — — US disclosed
US-4515795-A INSUFFICIENCY OF CEREBRAL BLOOD FLOW HOECHST AKTIENGESELLSCHAFT (DE) 1985-05-07 — — 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 (3 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-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI ADORA2B 1559/4885TNF 1497/4885USP2 2663/4885
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA ADORA2B 2276/4885TNF 2264/4885USP2 1852/4885
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA ADORA2B 2334/4885TNF 2270/4885USP2 1898/4885

“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.

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