SCHEMBL5412871

SCHEMBL5412871

CCCN1C2CCC1CC(Nc1ccc3[nH]ncc3c1C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.53
▸ ROCK1 Q13464 6/20 0.53
▸ ARHGDIA P52565 5/20 0.53
▸ ATM Q13315 1/20 0.39
▸ AXL P30530 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD4 P21917 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
SCHEMBL5409094 0.84 ROCK2 (0.76) ROCK2ROCK1ARHGDIAKCNH2MEN1
SCHEMBL5415101 0.77 ROCK1 (0.41) ROCK2ROCK1ARHGDIAJAK2JAK1
SCHEMBL5404336 0.76 ROCK2 (0.70) ROCK2ROCK1ARHGDIA
Hydrochloric Acid SCHEMBL5404775 0.76 ROCK2 (0.69) ROCK2ROCK1ARHGDIA
SCHEMBL5425214 0.70 ROCK2 (0.45) ROCK2ROCK1ARHGDIAAXLLMNA
SCHEMBL5412656 0.67 ROCK2 (0.73) ROCK2ROCK1ARHGDIA
SCHEMBL5413298 0.67 AXL (0.45) ROCK2ROCK1AXLTYRO3MERTK
SCHEMBL24094357 0.66 JAK2 (0.41) ROCK1AXLESR1JAK2JAK1
SCHEMBL5412377 0.65 ROCK2 (0.66) ROCK2ROCK1ARHGDIA
SCHEMBL5409635 0.65 ROCK2 (0.67) ROCK2ROCK1ARHGDIA

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.

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