SCHEMBL6355684

SCHEMBL6355684

C[C@@H](O)CCCCn1c(=O)c2[nH]c(Br)nc2n(C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
ADORA2A P29274 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6355685 1.00 PDE4A (0.41) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL18833769 0.92 GAA (0.44) ADORA2AGAAMAPTNPSR1
SCHEMBL27604724 0.87 PDE4A (0.39) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL27604723 0.87 PDE4A (0.39) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8126523 0.86 PDE2A (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8128491 0.86 PDE2A (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8126108 0.86 PDE2A (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6351011 0.85 PDE4A (0.41) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6351004 0.85 PDE4A (0.41) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4707209 0.84 GAA (0.40) ADORA2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 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-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 PDE4A 4128/4885ADORA2A 3270/4885PDE4B 4566/4885

“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.