SCHEMBL5412554

SCHEMBL5412554

c1cc2[nH]ncc2cc1N(C1CCCC1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ ROCK2 O75116 5/20 0.47
▸ GSK3B P49841 4/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ CLK1 P49759 2/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ DYRK2 Q92630 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ DYRK1B Q9Y463 1/20 0.45
▸ NOS1 P29475 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45

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
SCHEMBL13122395 0.77 ROCK2 (0.49) POLBSLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL13122101 0.76 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3ROCK2GSK3B
SCHEMBL5408143 0.74 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3ROCK2GSK3B
SCHEMBL3105606 0.73 ROCK2 (0.53) POLBSLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL14642595 0.73 ROCK2 (0.53) POLBSLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL27075082 0.73 ROCK2 (0.46) SLC6A2SLC6A4SLC6A3ROCK2GSK3B
SCHEMBL17858293 0.72 RORC (0.47) POLBSLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL13122793 0.71 S1PR1 (0.50) SLC6A2SLC6A4SLC6A3ROCK2GSK3B
SCHEMBL13122174 0.71 ROCK2 (0.44) POLBSLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL12927713 0.70 NOS1 (0.55) POLBSLC6A2SLC6A4SLC6A3ROCK2

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 POLB 3765/4885SLC6A2 3892/4885SLC6A4 4344/4885

“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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