SCHEMBL5425713

SCHEMBL5425713

CC(C)(C)NC(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.55
CTNNB1 P35222 3/20 0.53
WNT3A P56704 3/20 0.53
METTL3 Q86U44 1/20 0.53
MAOA P21397 1/20 0.52
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CLK2 P49760 1/20 0.51
DYRK1A Q13627 1/20 0.51
PRKG1 Q13976 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
SGK2 Q9HBY8 1/20 0.51
STK17A Q9UEE5 1/20 0.51
JAK2 O60674 2/20 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
SCHEMBL5410004 0.86 CTNNB1 (0.52) MAOBCTNNB1WNT3AMETTL3MAOA
SCHEMBL5409154 0.83 MAOB (0.59) MAOBCTNNB1WNT3AMETTL3MAOA
SCHEMBL9959746 0.81 CTNNB1 (0.56) MAOBCTNNB1WNT3AROCK2ROCK1
SCHEMBL13373522 0.81 MAOB (0.57) MAOBCTNNB1WNT3AMETTL3MAOA
SCHEMBL3493150 0.80 MAOB (0.59) MAOBCTNNB1WNT3AMETTL3MAOA
SCHEMBL4137032 0.80 CTNNB1 (0.57) MAOBCTNNB1WNT3AROCK2ROCK1
SCHEMBL19086030 0.79 MAOB (0.62) MAOBCTNNB1WNT3AMETTL3MAOA
SCHEMBL27836079 0.79 MAOB (0.58) MAOBCTNNB1WNT3AMETTL3MAOA
SCHEMBL5418713 0.79 ROCK2 (0.58) MAOBCTNNB1WNT3AMAOAROCK2
SCHEMBL30279962 0.79 MAOB (0.49) MAOBCTNNB1WNT3AMETTL3MAOA

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MAOB 2025/4885CTNNB1 2647/4885WNT3A 3494/4885

“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.