SCHEMBL5407739

SCHEMBL5407739

Brc1c(OC2CCCNCC2)ccc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
TDO2 P48775 2/20 0.37
IDO1 P14902 1/20 0.37
HRH1 P35367 3/20 0.37
NOS1 P29475 1/20 0.35
AXL P30530 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE4B Q07343 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL5415144 0.85 TIPARP (0.40) TIPARPIKBKBCHUKROCK1ROCK2
SCHEMBL5407419 0.82 PDE4B (0.40) TIPARPIKBKBCHUKROCK1ROCK2
SCHEMBL5405282 0.82 HRH1 (0.44) TIPARPROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL5421981 0.81 ROCK1 (0.38) TIPARPIKBKBCHUKROCK1ROCK2
SCHEMBL5417998 0.81 ROCK1 (0.38) TIPARPIKBKBCHUKROCK1ROCK2
SCHEMBL5413033 0.81 KHK (0.39) TIPARPIKBKBCHUKROCK1ROCK2
SCHEMBL5401679 0.81 TIPARP (0.47) TIPARPIKBKBCHUKROCK1ROCK2
Hydrochloric Acid SCHEMBL5407165 0.81 KHK (0.38) TIPARPIKBKBCHUKROCK1ROCK2
SCHEMBL5407776 0.80 NOS1 (0.37) TIPARPIKBKBCHUKTDO2IDO1
SCHEMBL5415382 0.80 NOS1 (0.37) TIPARPIKBKBCHUKTDO2IDO1

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 TIPARP 1305/4885IKBKB 633/4885CHUK 136/4885

“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.