SCHEMBL23902170

SCHEMBL23902170

N=C(N)c1ccc(COc2cccc(OCc3ccc(C(=N)N)cc3F)c2F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.48
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TMPRSS6 Q8IU80 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
KLK1 P06870 1/20 0.43

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
SCHEMBL34433796 1.00 F2 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL23902204 0.85 PRSS1 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL23566030 0.83 F2 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL34433939 0.83 F2 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL23902336 0.82 F10 (0.43) F2
Hydrochloric Acid SCHEMBL23235867 0.82 F2 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23235757 0.81 F10 (0.43) F2
SCHEMBL23235882 0.81 F10 (0.39) F2
Hydrochloric Acid SCHEMBL29931183 0.80 F2 (0.59) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23541302 0.79 MAOB (0.51) F2PRSS1PRSS2PRSS3TMPRSS6

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 F2 1488/4885PRSS1 652/4885PRSS2 1318/4885

“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.