SCHEMBL823239

SCHEMBL823239

COCCOc1nc(NCc2ccccc2)c2nc(Br)n(Cc3ccc(C#N)cc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.50
NUDT1 P36639 2/20 0.47
CTSL P07711 6/20 0.44
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
TMIGD3 P0DMS9 2/20 0.43
ADORA2B P29275 2/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL823178 0.90 TLR7 (0.50) TLR7NUDT1CTSLKDM4EALDH1A1
SCHEMBL823231 0.82 CDK1 (0.48) CTSLADORA2AADORA1TMIGD3ADORA2B
SCHEMBL822925 0.81 TLR7 (0.60) TLR7NUDT1ADORA2AADORA1
SCHEMBL509587 0.76 TLR7 (0.74) TLR7NUDT1ADORA2AADORA1
SCHEMBL2058803 0.75 TLR7 (0.56) TLR7NUDT1
SCHEMBL21759512 0.71 HRH4 (0.39) TLR7KDM4EALDH1A1
SCHEMBL12175835 0.71 TLR7 (0.64) TLR7NUDT1
SCHEMBL21449006 0.70 TLR7 (0.54) TLR7
SCHEMBL43087 0.70 TLR7 (0.60) TLR7NUDT1
SCHEMBL2058924 0.70 TLR7 (0.60) TLR7NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS BIOPHARMA CREDIT PLC (GB) 2012-01-12 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 (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-20120009247-A1 PHOSPHOLIPID DRUG ANALOGS PHOSPHO1, PXMP4, SGMS1 TLR7 1935/4885NUDT1 1425/4885CTSL 4404/4885

“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.