SCHEMBL5404089

SCHEMBL5404089

COC(=O)NC(CN)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.50
ROCK2 O75116 3/20 0.50
RPS6KA5 O75582 2/20 0.50
AKT1 P31749 2/20 0.50
GSK3B P49841 2/20 0.50
NEK4 P51957 2/20 0.50
PRKCD Q05655 2/20 0.50
PRKG2 Q13237 2/20 0.50
PRKG1 Q13976 2/20 0.50
PKN2 Q16513 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
MAPK13 O15264 1/20 0.50
DYRK3 O43781 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
PRKCG P05129 1/20 0.50
CDK1 P06493 1/20 0.50
PIM1 P11309 1/20 0.50
RPS6KB1 P23443 1/20 0.50

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
SCHEMBL5306683 0.84 GPR88 (0.58) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL14625075 0.84 GPR88 (0.58) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL12322211 0.84 ALDH1A1 (0.58) TSHRKMT2A
SCHEMBL13072325 0.84 ALDH1A1 (0.58) TSHRKMT2A
SCHEMBL16152198 0.84 GPR88 (0.58) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL3755737 0.84 CTSK (0.54) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL118081 0.84 CTSK (0.54) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL13493127 0.84 HTR2A (0.47) AKT1DYRK1ADYRK1BGPR88TSHR
SCHEMBL12561309 0.84 HTR2A (0.47) AKT1DYRK1ADYRK1BGPR88TSHR
SCHEMBL14923573 0.84 CTSK (0.54) ROCK1ROCK2RPS6KA5AKT1GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312245-B2 Diamine derivatives, process for producing the diamine derivatives, and fungicides containing the diamine derivatives as an active ingredient MITSUI CHEMICAL, INC. (JP) 2007-12-25 US disclosed
US-20050075512-A1 Diamine derivatives, process for producing the same, and bactericide containing the same as active ingredient MITSUI CHEMICALS, INC. (JP) 2005-04-07 US disclosed
EP-1408027-A1 DIAMINE DERIVATIVE,PROCESS FOR PRODUCING THE SAME, AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2004-04-14 EP 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-20050075512-A1 Diamine derivatives, process for producing the same, and bactericide containing the same as active ingredient DDT, DDC, ODC1 ROCK1 3584/4885ROCK2 4179/4885RPS6KA5 3422/4885

“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.