SCHEMBL23915988

SCHEMBL23915988

COc1ccc(-c2ccc(N)cc2-c2nnn[nH]2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
KDM4E B2RXH2 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
S1PR1 P21453 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
AR P10275 2/20 0.35
PGR P06401 1/20 0.35
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAP4K1 Q92918 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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 0.91 KDM4E (0.36) KDM4EGLAPOLBGAATSHR
SCHEMBL20329401 0.86 KDM4E (0.49) KDM4EGLAGAAHSD17B10
SCHEMBL20329857 0.85 KIT (0.43) KDM4EARHSD17B10
SCHEMBL20329240 0.84 KDM4E (0.39) KDM4EHSD17B10
SCHEMBL20329632 0.83 PTGS2 (0.42) KDM4EPOLBHSD17B10
SCHEMBL23916022 0.81 NTRK1 (0.36) KDM4E
SCHEMBL20329379 0.80 KDM4E (0.51) KDM4ES1PR1GAATSHRHSD17B10
SCHEMBL20329237 0.78 MAPT (0.44) KDM4EPOLBGAAHSD17B10ABCB1
SCHEMBL23916410 0.78 KIF11 (0.44) KDM4EGLAPOLBGAATSHR
SCHEMBL21136103 0.78 GAA (0.39) KDM4EGLAGAATSHRHSD17B10

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 CTSS 835/4885CTSK 517/4885KDM4E 4547/4885

“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.