SCHEMBL23910036

SCHEMBL23910036

Cc1nc(C(F)(F)F)cn1-c1ccc(N)cc1-c1nnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.35
ATR Q13535 1/20 0.33
STIM1 Q13586 1/20 0.31
ORAI1 Q96D31 1/20 0.31
PTGS1 P23219 3/20 0.31
NR1H2 P55055 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
SCHEMBL23910114 0.78
SCHEMBL23910020 0.78
SCHEMBL21071612 0.77 PDE3B (0.35) ATR
SCHEMBL21071706 0.76 PRMT6 (0.36)
SCHEMBL14887390 0.76 STIM1 (0.41) PTGS2ATRSTIM1ORAI1PTGS1
SCHEMBL21072106 0.74 TP53 (0.31)
SCHEMBL21071963 0.73
SCHEMBL23910008 0.72 KDM4E (0.43) PTGS2ATRSTIM1ORAI1PTGS1
SCHEMBL21072015 0.71
SCHEMBL23910131 0.70

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
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 PTGS2 173/4885ATR 4315/4885STIM1 1849/4885

“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.