SCHEMBL21759566

SCHEMBL21759566

O=c1[nH]c2cnc(OCCOC(F)F)nc2n1Cc1ccc(CN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.47
IL6 P05231 6/20 0.47
USP1 O94782 9/20 0.42
ADORA3 P0DMS8 1/20 0.40
CYP3A4 P08684 1/20 0.39
NUDT1 P36639 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
SCHEMBL20157435 0.90 IL6 (0.47) TLR7IL6USP1ADORA3
SCHEMBL21351788 0.89 TLR7 (0.46) TLR7IL6USP1ADORA3CYP3A4
SCHEMBL20157403 0.87 TLR7 (0.52) TLR7IL6USP1ADORA3NUDT1
SCHEMBL20157783 0.87 TLR7 (0.59) TLR7IL6CYP3A4
SCHEMBL20157768 0.86 TLR7 (0.45) TLR7IL6USP1ADORA3
SCHEMBL20157576 0.86 TLR7 (0.51) TLR7IL6USP1ADORA3NUDT1
SCHEMBL20157136 0.86 TLR7 (0.51) TLR7IL6USP1ADORA3NUDT1
SCHEMBL20157632 0.86 TLR7 (0.47) TLR7IL6USP1ADORA3
SCHEMBL21351783 0.85 TLR7 (0.46) TLR7IL6USP1ADORA3
SCHEMBL20157675 0.85 TLR7 (0.49) TLR7IL6USP1ADORA3CYP3A4

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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use TLR7, TLR9, TLR4 TLR7 1/4885IL6 680/4885USP1 3017/4885
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use TLR7, TLR9, NOD1 TLR7 1/4885IL6 812/4885USP1 2778/4885

“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.