SCHEMBL23902193

SCHEMBL23902193

Cc1cc(COc2ccc(C(=N)N)cc2)cc(COc2ccc(C3=NCCN3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
F2 P00734 6/20 0.49
PARP10 Q53GL7 1/20 0.47
TMPRSS6 Q8IU80 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
NISCH Q9Y2I1 3/20 0.45

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
Hydrochloric Acid SCHEMBL23235854 0.99 PRSS1 (0.54) PRSS1PRSS2PRSS3F2PARP10
SCHEMBL23901824 0.94 PRSS1 (0.53) PRSS1PRSS2PRSS3F2PARP10
Hydrochloric Acid SCHEMBL23235874 0.93 PRSS1 (0.52) PRSS1PRSS2PRSS3F2PARP10
SCHEMBL23566027 0.89 NISCH (0.56) NISCH
Hydrochloric Acid SCHEMBL23880700 0.88 NISCH (0.55) NISCH
SCHEMBL23902266 0.84 NISCH (0.53) NISCH
SCHEMBL23902206 0.84 F10 (0.40) PRSS1PRSS2PRSS3F2NISCH
SCHEMBL23902298 0.83 F2 (0.54) PRSS1PRSS2PRSS3F2TMPRSS6
SCHEMBL23566464 0.82 NISCH (0.58) NISCH
SCHEMBL23566019 0.81 PRSS1 (0.84) PRSS1PRSS2PRSS3F2PARP10

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 PRSS1 652/4885PRSS2 1318/4885PRSS3 1397/4885

“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.