SCHEMBL23902161

SCHEMBL23902161

N=C(N)c1ccc(CCc2cccc(CCc3ccc(C(=N)N)cc3F)c2F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.43
PRSS1 P07477 7/20 0.41
PRSS2 P07478 5/20 0.41
PRSS3 P35030 5/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
F10 P00742 3/20 0.40
FURIN P09958 1/20 0.40
PLG P00747 3/20 0.40
PLAU P00749 3/20 0.40
KLKB1 P03952 3/20 0.40
KLK1 P06870 2/20 0.40
C1S P09871 1/20 0.40
PLAT P00750 1/20 0.39

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
SCHEMBL34433862 1.00 F2 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23880722 0.98 F2 (0.42) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL23902196 0.82 F2 (0.40) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL23901925 0.81 PRSS1 (0.50) F2PRSS1PRSS2PRSS3F10
SCHEMBL34433872 0.81 PRSS1 (0.50) F2PRSS1PRSS2PRSS3F10
SCHEMBL23902234 0.80 F2 (0.40) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL23235792 0.80 PRSS1 (0.51) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL23880742 0.79 F2 (0.40) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL21552044 0.76 PRSS1 (0.41) F2PRSS1PRSS2PRSS3LOXL2
Hydrochloric Acid SCHEMBL18300229 0.76 LOXL2 (0.47) F2PRSS1PRSS2PRSS3ST14

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.