SCHEMBL23916377

SCHEMBL23916377

CCOc1ncc(-c2ccc(N)cc2-c2nnn[nH]2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.39
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MAP4K4 O95819 1/20 0.30

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
SCHEMBL23916412 0.88 BRAF (0.34) BRAFMAPTTDP1TP53CYP3A4
SCHEMBL23915996 0.85 AAK1 (0.35) BRAFAAK1
SCHEMBL21072312 0.84 MAPT (0.33) BRAFMAPTTDP1TP53CYP3A4
SCHEMBL20329856 0.82 PIK3CA (0.40) BRAFMAPTTDP1TP53CYP3A4
SCHEMBL21071957 0.81 CYP11B1 (0.39) MAPTTDP1TP53CYP3A4MAP4K4
SCHEMBL23915989 0.80 PDE3B (0.31) MAP4K4
SCHEMBL23916420 0.77 HPGDS (0.36) MAPT
SCHEMBL20329379 0.76 KDM4E (0.51) MAPTTP53
SCHEMBL23916020 0.76 PDE5A (0.37) MAPTTP53
SCHEMBL20329236 0.74 KCNH2 (0.41)

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 BRAF 4273/4885TLR9 1237/4885TLR8 561/4885

“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.