SCHEMBL5415065

SCHEMBL5415065

O=C(NC1CCN(C2CCCC2)CC1)c1ccc2[nH]ncc2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.65
▸ ROCK1 Q13464 3/20 0.65
▸ MAPK14 Q16539 1/20 0.57
▸ ACKR3 P25106 2/20 0.48
▸ PARP1 P09874 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL5412576 0.99 ROCK2 (0.64) ROCK2ROCK1MAPK14ACKR3PARP1
SCHEMBL5419135 0.99 ROCK2 (0.64) ROCK2ROCK1MAPK14ACKR3PARP1
SCHEMBL5417370 0.98 ROCK2 (0.65) ROCK2ROCK1MAPK14ACKR3PARP1
SCHEMBL5415131 0.91 ROCK2 (0.62) ROCK2ROCK1MAPK14CCNCCDK8
SCHEMBL5404301 0.91 ROCK2 (0.62) ROCK2ROCK1MAPK14CCNCCDK8
SCHEMBL5417081 0.90 ROCK2 (0.62) ROCK2ROCK1MAPK14MAOBCYP3A4
SCHEMBL5407420 0.90 ROCK2 (0.61) ROCK2ROCK1MAPK14CCNCCDK8
SCHEMBL5407427 0.90 ROCK2 (0.61) ROCK2ROCK1MAPK14CCNCCDK8
SCHEMBL5412477 0.88 MAPK14 (0.66) ROCK2ROCK1MAPK14ALDH1A1MAOB
SCHEMBL8358764 0.88 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1HRH3

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 1/4885MAPK14 156/4885

“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.

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