SCHEMBL11375296

SCHEMBL11375296

Cn1c(=O)c2c(ncn2COC(=O)C(C)(C)C)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ABCC8 Q09428 1/20 0.54
KCNJ11 Q14654 1/20 0.54

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
SCHEMBL11385039 0.85 ADORA2B (0.78) ADORA2BSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL11380715 0.85 PDE1A (0.57) ADORA2BSMN1; SMN2LMNA
SCHEMBL13652738 0.85 PDE4A (0.47) ADORA2BSMN1; SMN2LMNA
SCHEMBL11378126 0.83 SMN1; SMN2 (0.64) ADORA2BSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL13217673 0.83 PDE4A (0.62) ADORA2BSMN1; SMN2
SCHEMBL11379379 0.82 ADORA2B (0.62) ADORA2BSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL11383083 0.82 SMN1; SMN2 (0.63) ADORA2BSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL11312328 0.81 ADORA2B (0.43) ADORA2BSMN1; SMN2LMNAMAPK1
SCHEMBL11382208 0.81 SMN1; SMN2 (0.62) ADORA2BSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL10432700 0.81 TNF (0.58) ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275064-A Transient pro-drug forms of xanthine derivatives and their use as topical anti-inflammatory agents INTERX RESEARCH CORPORATION (US) 1981-06-23 US claimed
US-4061753-A Treating psoriasis with transient pro-drug forms of xanthine derivatives INTERX RESEARCH CORPORATION (US) 1977-12-06 US claimed
JP-53098995-A None JP disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-4275064-A Transient pro-drug forms of xanthine derivatives and their use as topical anti-inflammatory agents INTERX RESEARCH CORPORATION (US) 1981-06-23 US disclosed
JP-S5398995-A TRANSIENT DRUG PRECURSOR AND ITS DRUG COMPOSITION KANEBO LTD 1978-08-29 JP disclosed
US-4061753-A Treating psoriasis with transient pro-drug forms of xanthine derivatives INTERX RESEARCH CORPORATION (US) 1977-12-06 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 (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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES ADORA2B 475/4885SMN1; SMN2 4186/4885LMNA 2591/4885

“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.