SCHEMBL1920109

SCHEMBL1920109

CCCCNc1nc(N)c2nc(OC)n(CCCNCCC3CCCO3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
THRB P10828 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
RECQL P46063 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR7 Q9NYK1 7/20 0.39
ADORA2A P29274 4/20 0.36
ADORA2B P29275 4/20 0.36
ADORA1 P30542 4/20 0.36
TMIGD3 P0DMS9 3/20 0.36

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
SCHEMBL1919249 0.97 TLR7 (0.39) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL2198539 0.93 TLR7 (0.42) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL1920583 0.92 ALDH1A1 (0.40) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL2196431 0.92 TLR7 (0.45) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL2198943 0.92 TLR7 (0.41) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL2198080 0.90 TLR7 (0.42) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL2198968 0.90 TLR7 (0.46) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL2198837 0.89 TLR7 (0.41) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL1919115 0.85 TLR7 (0.54) ALDH1A1KDM4EGAATHRBHPGD
SCHEMBL2195658 0.84 PDE8B (0.46) ALDH1A1KDM4EGAATHRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575181-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
US-8575181-B2 Purine derivatives for use in the treatment of allergic, inflammatory and infectious diseases GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
EP-2326646-B1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2013-07-31 EP disclosed
EP-2326646-B1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2013-07-31 EP disclosed
US-20110135670-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
US-20110135670-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GLAXOSMITHKLINE LLC (US) 2011-06-09 US disclosed
EP-2326646-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES Smithkline Beecham Corporation (US) 2011-06-01 EP disclosed
WO-2010018130-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed
WO-2010018130-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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-20110135670-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES IFNAR1, IFNG, STING1 ALDH1A1 1282/4885KDM4E 4292/4885GAA 1487/4885

“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.