SCHEMBL5409094

SCHEMBL5409094

Cc1c(NC2CC3CCC(C2)N3Cc2ccccc2)ccc2[nH]ncc12

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.76
ROCK1 Q13464 7/20 0.76
ARHGDIA P52565 5/20 0.76
JAK1 P23458 1/20 0.45
LTA4H P09960 3/20 0.44
OPRK1 P41145 3/20 0.41
CCR2 P41597 2/20 0.41
KCNH2 Q12809 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5412871 0.84 ROCK2 (0.53) ROCK2ROCK1ARHGDIAJAK1KCNH2
SCHEMBL1974051 0.77 ROCK2 (1.00) ROCK2ROCK1ARHGDIACCR2
SCHEMBL5415101 0.75 ROCK1 (0.41) ROCK2ROCK1ARHGDIAJAK1
SCHEMBL5412926 0.73 ROCK2 (0.46) ROCK2ROCK1ARHGDIAJAK1LTA4H
SCHEMBL1974858 0.71 ROCK2 (1.00) ROCK2ROCK1ARHGDIACCR2
SCHEMBL3527134 0.70 ROCK2 (0.59) ROCK2ROCK1ARHGDIALTA4HOPRK1
SCHEMBL4019763 0.69 ROCK2 (0.55) ROCK2ROCK1ARHGDIAJAK1LTA4H
SCHEMBL4019760 0.69 ROCK2 (0.55) ROCK2ROCK1ARHGDIAJAK1LTA4H
SCHEMBL5413391 0.69 ROCK2 (0.72) ROCK2ROCK1ARHGDIAOPRK1MEN1
SCHEMBL6536312 0.69 ALDH1A1 (0.58) ROCK2ROCK1ARHGDIALTA4HOPRK1

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 ROCK2 2/4885ROCK1 1/4885ARHGDIA 3/4885

“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.