SCHEMBL6352834

SCHEMBL6352834

CC(=O)O[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(CCCCCCN)c1=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.51
PDE4A P27815 5/20 0.51
PDE4B Q07343 5/20 0.51
PDE4C Q08493 5/20 0.51
PDE4D Q08499 5/20 0.51
TNF P01375 5/20 0.51
CYP1A2 P05177 2/20 0.51
PMP22 Q01453 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
ACHE P22303 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ADORA2A P29274 4/20 0.50
CYP3A4 P08684 1/20 0.48
BLM P54132 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6352837 1.00 ADORA2B (0.51) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6350994 0.96 ADORA2B (0.51) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6350996 0.96 ADORA2B (0.51) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7643904 0.89 ADORA2B (0.48) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7643908 0.89 ADORA2B (0.48) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6345995 0.88 PDE4A (0.55) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6345997 0.88 PDE4A (0.55) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL7594109 0.88 ADORA2B (0.66) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6854303 0.88 ADORA2B (0.66) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL6488873 0.84 ADORA2B (0.43) ADORA2BPDE4APDE4BPDE4CPDE4D

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-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
US-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease CELL THERAPEUTICS, INC. (US) 2005-02-10 US disclosed
US-6774130-B2 TREATING CHRONIC INFLAMMATORY DISEASE, CHRONIC INTESTINAL INFLAMMATION, ARTHRITIS, PSORIASIS, ASTHMA AND AUTOIMMUNE DISORDERS; TH1 CELL-MEDIATED DISORDERS; FOR EXAMPLE, 1,2,3,6-TETRAHYDRO-7H-PURINE-2,6-DIONE DERIVATIVES CELL THERAPEUTICS, INC. 2004-08-10 US disclosed
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CELL THERAPEUTICS, INC. 2002-03-07 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 (3 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-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease TPMT, IL2, NFATC1 ADORA2B 632/4885PDE4A 1709/4885PDE4B 2767/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 ADORA2B 1938/4885PDE4A 3457/4885PDE4B 4220/4885
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 ADORA2B 3204/4885PDE4A 4128/4885PDE4B 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.