SCHEMBL11374923

SCHEMBL11374923

CCOCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.62
LMNA P02545 3/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
ADORA2A P29274 1/20 0.59
RXFP1 Q9HBX9 1/20 0.57
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.56

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
Dimethylamine SCHEMBL11381767 0.96 SMN1; SMN2 (0.59) ADORA2BLMNAMAPTSMN1; SMN2ADORA2A
SCHEMBL11380544 0.89 ADORA2B (0.59) ADORA2BLMNAMAPTSMN1; SMN2ADORA2A
SCHEMBL7456005 0.87 ADORA2B (0.55) ADORA2BLMNAMAPTADORA2APOLB
SCHEMBL19036787 0.87 ADORA2B (0.69) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL14507747 0.86 ADORA2A (0.64) ADORA2BLMNAMAPTADORA2A
SCHEMBL11377411 0.86 ADORA2B (0.59) ADORA2BLMNAMAPTADORA2ARXFP1
SCHEMBL13659055 0.85 SMN1; SMN2 (0.66) ADORA2BLMNAMAPTSMN1; SMN2ADORA2A
SCHEMBL14507751 0.84 PDE4A (0.61) ADORA2BLMNAMAPTSMN1; SMN2ADORA2A
SCHEMBL14507748 0.84 PDE4A (0.58) ADORA2BLMNAMAPTADORA2APOLB
SCHEMBL19036507 0.84 ADORA2B (0.68) ADORA2BLMNAMAPTSMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4061753-A Treating psoriasis with transient pro-drug forms of xanthine derivatives INTERX RESEARCH CORPORATION (US) 1977-12-06 US claimed
US-20070105878-A1 Purine formulations and methods for managing disorders REAUME ANDREW 2007-05-10 US disclosed
US-20070105878-A1 Purine formulations and methods for managing disorders REAUME ANDREW 2007-05-10 US disclosed
WO-2007041506-A1 PURINE FORMULATIONS AND METHODS FOR MANAGING DISORDERS MELIOR DISCOVERY, INC. (US) 2007-04-12 WO 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
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-20070105878-A1 Purine formulations and methods for managing disorders TPMT, UMPS, SLC10A2 ADORA2B 38/4885LMNA 2994/4885MAPT 1502/4885

“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.