SCHEMBL14507749

SCHEMBL14507749

CCCCCCn1c(=O)c2c(ncn2COCC)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.60
▸ LMNA P02545 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ ACHE P22303 2/20 0.60
▸ PMP22 Q01453 2/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ ADORA2B P29275 7/20 0.54
▸ ADORA2A P29274 6/20 0.54
▸ TNF P01375 3/20 0.53
▸ PDE4B Q07343 5/20 0.52
▸ PDE4C Q08493 5/20 0.52
▸ PDE4D Q08499 5/20 0.52
▸ USP2 O75604 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL14507751 0.99 PDE4A (0.61) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL14507748 0.96 PDE4A (0.58) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7459613 0.92 PDE4A (0.54) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL14507747 0.91 ADORA2A (0.64) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL27483420 0.89 PDE4A (0.53) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL14507750 0.89 LMNA (0.53) PDE4ALMNACYP1A2NFKB1ACHE
Ammonia Solution, Strong SCHEMBL8658618 0.88 PDE4A (0.52) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7459491 0.88 PDE4A (0.50) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10346509 0.88 PDE4A (0.76) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7456005 0.87 ADORA2B (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PDE4A 118/4885LMNA 2994/4885CYP1A2 2776/4885

“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.

Send feedback