SCHEMBL4707209

SCHEMBL4707209

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TNF P01375 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL4707211 1.00 GAA (0.40) GAATNFADORA1ADORA2AADORA2B
SCHEMBL6352844 0.86 ALDH1A1 (0.41) GAAADORA1ADORA2AADORA2B
SCHEMBL6348689 0.86 ALDH1A1 (0.41) GAAADORA1ADORA2AADORA2B
SCHEMBL6348685 0.86 ALDH1A1 (0.41) GAAADORA1ADORA2AADORA2B
SCHEMBL27604723 0.86 PDE4A (0.39) ADORA2A
SCHEMBL27604724 0.86 PDE4A (0.39) ADORA2A
SCHEMBL6355684 0.84 PDE4A (0.41) GAAADORA2A
SCHEMBL6355685 0.84 PDE4A (0.41) GAAADORA2A
SCHEMBL4707344 0.81 ADORA1 (0.53) GAAADORA1ADORA2AADORA2B
SCHEMBL4707343 0.81 ADORA1 (0.53) GAAADORA1ADORA2AADORA2B

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
EP-1690864-B1 TRICYCLIC PURINE COMPOUNDS AND THEIR ANALOGS AS INHIBITORS OF CYTOKINE SIGNALLING CELL THERAPEUTICS INC (US) 2008-03-05 EP disclosed
US-7247630-B2 Uses of tricyclic compounds CELL THERAPEUTICS, INC. (US) 2007-07-24 US disclosed
EP-1690864-A2 TRICYCLIC PURINE COMPOUNDS AND THEIR ANALOGS AS INHIBITORS OF CYTOKINE SIGNALLING CELL THERAPEUTICS, INC. (US) 2006-08-16 EP disclosed
EP-1347976-A2 TRICYCLIC PURINE COMPOUNDS AND THEIR ANALOGS AS INHIBIOTRS OF CYTOKINE SIGNALLING CELL THERAPEUTICS, INC. (US) 2003-10-01 EP disclosed
US-20030162801-A1 Tricyclic compounds and their uses GONG BAOQING (US) 2003-08-28 US disclosed
US-6586429-B2 For treatment of chronic inflammatory disease, chronic intestinalinflammation, arthritis, psoriasis, asthma, autoimmune disorders CELL THERAPEUTICS, INC. 2003-07-01 US disclosed
WO-2002068421-A2 TRICYCLIC COMPOUNDS AND THEIR ANALOGS AS INHIBITORS OF CYTOKINE SIGNALING CELL THERAPEUTICS, INC. (US) 2002-09-06 WO disclosed
US-20020103211-A1 TRICYCLIC FUSED XANTHINE COMPOUNDS AND THEIR USES CELL THERAPEUTICS, INC. 2002-08-01 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 (2 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-20030162801-A1 Tricyclic compounds and their uses NFATC1, MAVS, STAT3 GAA 1350/4885TNF 109/4885ADORA1 4302/4885
US-20020103211-A1 TRICYCLIC FUSED XANTHINE COMPOUNDS AND THEIR USES XDH, MAVS, TPX2 GAA 1485/4885TNF 219/4885ADORA1 2468/4885

“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.