SCHEMBL23916008

SCHEMBL23916008

Nc1ccc(-c2ccnc(F)c2)c(-c2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.42
DYRK1A Q13627 2/20 0.36
NFATC1 O95644 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
IDO1 P14902 1/20 0.35
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
MAP4K4 O95819 3/20 0.33
MINK1 Q8N4C8 2/20 0.33
TNIK Q9UKE5 2/20 0.33
ADORA2A P29274 2/20 0.32
FYN P06241 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAPK1 P28482 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL23916028 0.84 CCNC (0.38) DYRK1ANFATC1MAP4K4
SCHEMBL23916021 0.84 AAK1 (0.33) AAK1
SCHEMBL23916460 0.84 PARP15 (0.39) DYRK1APARP10PARP11IDO1MAP4K4
SCHEMBL20329239 0.81 DYRK1A (0.39) DYRK1AIDO1MAPK13MAPK12MAPK11
SCHEMBL23916490 0.81 MTOR (0.37) MAP4K4
SCHEMBL14217428 0.80 ALDH1A1 (0.34) DYRK1AMAPK1
SCHEMBL23915983 0.79
SCHEMBL23915989 0.76 PDE3B (0.31) MAP4K4
SCHEMBL23916453 0.75 GLA (0.34)
SCHEMBL20329857 0.75 KIT (0.43)

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 ADORA2B 1323/4885DYRK1A 2200/4885NFATC1 291/4885

“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.