SCHEMBL23902206

SCHEMBL23902206

Cc1cc(COc2ccc(C(=N)N)cc2C)cc(COc2ccc(C3=NCCN3)cc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
NISCH Q9Y2I1 4/20 0.40
KLK1 P06870 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAOB P27338 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL23901934 0.89 NISCH (0.49) NISCHS1PR1
SCHEMBL23902193 0.84 PRSS1 (0.55) NISCHF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL23235854 0.83 PRSS1 (0.54) NISCHF2PRSS1PRSS2PRSS3
SCHEMBL23902154 0.82 NISCH (0.51) NISCHS1PR1
SCHEMBL23901955 0.82 NISCH (0.41) F10NISCHPRSS1PRSS2PRSS3
SCHEMBL23901895 0.82 KLK1 (0.55) KLK1F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL23235827 0.81 NISCH (0.40) F10NISCHPRSS1PRSS2PRSS3
SCHEMBL23902210 0.80 MAOB (0.48) F10F2PRSS1MAOB
SCHEMBL23902237 0.78 NISCH (0.51) NISCHMAOBS1PR1
SCHEMBL23902266 0.77 NISCH (0.53) NISCHMAOB

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 F10 2833/4885NISCH 24/4885KLK1 1869/4885

“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.