SCHEMBL5427270

SCHEMBL5427270

CCCn1cnc2c1c(=O)n(CCCCC(C)(C)O)c(=O)n2C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 9/20 0.70
▸ LMNA P02545 2/20 0.70
▸ CYP1A2 P05177 2/20 0.70
▸ NFKB1 P19838 2/20 0.70
▸ ACHE P22303 2/20 0.70
▸ PMP22 Q01453 2/20 0.70
▸ ESR1 P03372 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ BLM P54132 1/20 0.70
▸ PDE4B Q07343 8/20 0.56
▸ PDE4C Q08493 8/20 0.56
▸ PDE4D Q08499 8/20 0.56
▸ ADORA2B P29275 5/20 0.56
▸ ADORA2A P29274 4/20 0.56
▸ TNF P01375 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL7358934 0.99 PDE4A (0.69) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10346588 0.96 PDE4A (0.68) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10346583 0.95 PDE4A (0.64) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7030926 0.94 PDE4A (0.62) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10346307 0.94 LMNA (0.61) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL19601304 0.92 PDE4A (0.58) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7360054 0.90 PDE4A (0.56) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10346304 0.89 LMNA (0.56) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL3847240 0.89 PDE4A (0.55) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL8484463 0.88 PDE4A (0.64) PDE4ALMNACYP1A2NFKB1ACHE

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 — — US claimed
EP-0821960-B1 Use of xanthine derivatives combined with a 5-substituted-isoxazole-4-carboxamide derivative and/or a 2-cyano-3-hydroxycrotonamide derivative for the modulation of apoptosis HOECHST AG (DE) 2003-04-09 — — EP claimed
US-6432968-B1 IMMUNOSUPPRESSANTS FOR PATIENTS WITH CANCER, AUTOIMMUNE DISEASES, AND VIRAL INFECTIONS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-13 — — US claimed
US-5981536-A INHIBITING THE DEPHOSPHORYLATION OF COFILIN AND THUS HAVING MODULATING INFLUENCE ON APOPTOSIS HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 — — US claimed
US-5958413-A Use of antibodies to TNF or fragments derived thereof and xanthine derivatives for combination therapy and compositions therefor CELLTECH LIMITED (DE) 1999-09-28 — — US claimed
US-5856330-A MODULATION OF APOPTOSIS HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 — — US claimed
US-5795574-A COSMETICS WITH SUBSTANCE P ANTAGONIST SOCIETE L'OREAL S.A. (FR) 1998-08-18 — — US claimed
EP-0821960-A1 Use of xanthine derivatives for the modulation of apoptosis HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-04 — — EP claimed
EP-0797448-A2 COMBINATION PREPARATION, CONTAINING CYCLOSPORIN A OR FK506 OR RAPAMYCIN AND A XANTHINE DERIVATIVE HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-01 — — EP claimed
US-5641773-A ADMINISTERING COMBINATION OF TAT INHIBITOR AND NF-KB INHIBITOR DANA-FARBER CANCER INSTITUTE (US) 1997-06-24 — — US claimed
EP-0564461-B1 THE USE OF ANTIBODIES TO TNF OR FRAGMENTS DERIVED THEREOF AND XANTHINE DERIVATIVES FOR COMBINATION THERAPY AND COMPOSITIONS THEREFOR CELLTECH THERAPEUTICS LTD (GB) 1997-01-02 — — EP claimed
WO-1996005854-A2 COMBINATION PREPARATION, CONTAINING CYCLOSPORIN A OR FK506 OR RAPAMYCIN AND A XANTHINE DERIVATIVE HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-29 — — WO claimed
US-5350753-A Treatment of bacterial infectious diseases and septic shock HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-27 — — US claimed
US-20240115657-A1 COMPOSITION COMPRISING OIL DROPS Sublimity Therapeutics Limited (IE) 2024-04-11 — — US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 — — EP disclosed
US-20160193213-A1 PHARMACEUTICAL FORMULATIONS OF XANTHINE OR XANTHINE DERIVATIVES HARROW IP, LLC 2016-07-07 — — US disclosed
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 — — EP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 — — US disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 — — EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 — — 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-20160193213-A1 PHARMACEUTICAL FORMULATIONS OF XANTHINE OR XANTHINE DERIVATIVES XDH, PNPO, PNP PDE4A 19/4885LMNA 586/4885CYP1A2 679/4885

“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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