SCHEMBL23916022

SCHEMBL23916022

COc1cc(-c2ccc(N)cc2-c2nnn[nH]2)cnc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.36
FYN P06241 7/20 0.34
KIT P10721 4/20 0.33
ABL1 P00519 1/20 0.33
FLT3 P36888 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PDE10A Q9Y233 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
ALK Q9UM73 1/20 0.32
CHEK1 O14757 2/20 0.31

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
SCHEMBL23915990 0.83 KDM4E (0.36) FYNKITKDM4EALOX5APFEN1
SCHEMBL23915988 0.81 CTSS (0.36) KDM4E
SCHEMBL20329401 0.79 KDM4E (0.49) NTRK1KITKDM4ECHEK1
SCHEMBL23916453 0.79 GLA (0.34) ALOX5APFEN1
SCHEMBL23916477 0.78 KDM1A (0.40) KITKDM4E
SCHEMBL20329236 0.78 KCNH2 (0.41) FYN
SCHEMBL21135415 0.78 KCNH2 (0.41) PDE10ACHEK1
SCHEMBL23915996 0.77 AAK1 (0.35)
SCHEMBL23916415 0.77 PIK3CD (0.41) NTRK1FYNKITPDE10A
SCHEMBL20329857 0.77 KIT (0.43) KITKDM4EALOX5APFEN1

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 NTRK1 4048/4885FYN 1225/4885KIT 376/4885

“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.