SCHEMBL20202344

SCHEMBL20202344

CN=C1N(CCc2ccc(C(=N)N)cc2)CCN1CCc1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
F2 P00734 7/20 0.44
PRSS1 P07477 6/20 0.44
PRSS2 P07478 5/20 0.44
PRSS3 P35030 5/20 0.44
ST14 Q9Y5Y6 4/20 0.44
TMPRSS6 Q8IU80 3/20 0.44
F10 P00742 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PLG P00747 2/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 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
SCHEMBL20202345 0.82 NISCH (0.43) ITGB3ITGA2BF10
SCHEMBL20202347 0.73 F10 (0.42) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7281193 0.72 ITGB3 (0.69) ITGB3ITGA2BF2F10
SCHEMBL7281195 0.72 ITGB3 (0.69) ITGB3ITGA2BF2F10
SCHEMBL8420366 0.71 PRSS1 (0.59) F2PRSS1PRSS2PRSS3ST14
SCHEMBL7274465 0.71 HDAC1 (0.60) ITGB3ITGA2BF2PRSS1F10
SCHEMBL7283756 0.71 HDAC1 (0.55) ITGB3ITGA2BF2PRSS1F10
SCHEMBL7281172 0.70 ITGB3 (0.56) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL10342835 0.70 PRSS1 (0.57) F2PRSS1PRSS2PRSS3ST14
SCHEMBL7274780 0.70 ITGB3 (0.54) ITGB3ITGA2B

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 ITGB3 4743/4885ITGA2B 4348/4885F2 4057/4885

“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.