SCHEMBL20202347

SCHEMBL20202347

CN=c1n(CCc2ccc(C(=N)N)cc2)c(C)c(C)n1CCc1ccc(C(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ST14 Q9Y5Y6 3/20 0.40
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
F2 P00734 5/20 0.38
TMPRSS6 Q8IU80 1/20 0.37
PLAU P00749 2/20 0.37
PLG P00747 1/20 0.36
C1S P09871 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KLKB1 P03952 1/20 0.36

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
SCHEMBL20202346 0.81 NISCH (0.42) F10
SCHEMBL20202344 0.73 ITGB3 (0.47) F10PRSS1PRSS2PRSS3LOXL2
SCHEMBL8420366 0.68 PRSS1 (0.59) F10PRSS1PRSS2PRSS3LOXL2
Hydrochloric Acid SCHEMBL10342835 0.67 PRSS1 (0.57) F10PRSS1PRSS2PRSS3LOXL2
SCHEMBL23235796 0.66 PRSS1 (0.52) F10PRSS1PRSS2PRSS3LOXL2
SCHEMBL20610488 0.66 PRSS1 (0.68) F10PRSS1PRSS2PRSS3LOXL2
SCHEMBL7815090 0.66 F10 (0.68) F10PRSS1PRSS2PRSS3LOXL2
SCHEMBL8995527 0.65 PRSS1 (0.55) F10PRSS1PRSS2PRSS3LOXL2
Hydrochloric Acid SCHEMBL23541338 0.65 PRSS1 (0.50) F10PRSS1PRSS2PRSS3LOXL2
Hydrochloric Acid SCHEMBL8173513 0.64 F10 (0.65) F10PRSS1PRSS2PRSS3LOXL2

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-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE NIPPON SODA CO., LTD. (JP) 2018-05-31 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-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE GUCY1A2, GUCY1B2, GUCY1A1 F10 3065/4885PRSS1 4145/4885PRSS2 3710/4885

“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.