SCHEMBL13608166

SCHEMBL13608166

Cc1nc(NCCCN)nc2c1[nH]c(=O)n2Cc1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.50
TRAP1 Q12931 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40

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
SCHEMBL2270517 0.82 JAK2 (0.47) TLR7
SCHEMBL13608332 0.79 JAK2 (0.46) TLR7
SCHEMBL12371690 0.77 BIRC2 (0.42) TLR7
SCHEMBL13608131 0.77 BRD4 (0.41) TLR7TRAP1HSP90AA1HSP90B1
SCHEMBL12371651 0.77 JAK2 (0.45) TLR7
SCHEMBL13608238 0.74 JAK2 (0.45)
SCHEMBL13608336 0.74 PIK3CD (0.42) TLR7
SCHEMBL13620380 0.74 JAK2 (0.47) TLR7
SCHEMBL12371659 0.72 TLR7 (0.40) TLR7TRAP1HSP90AA1HSP90B1
SCHEMBL12371654 0.71 JAK2 (0.39) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ TLR7 3960/4885TRAP1 2493/4885HSP90AA1 3427/4885

“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.