SCHEMBL5407419

SCHEMBL5407419

COc1c(OC2CCCNCC2)ccc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.40
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRD4 O60885 1/20 0.38
ROCK1 Q13464 3/20 0.38
ROCK2 O75116 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
HRH1 P35367 2/20 0.35
PIK3CA P42336 1/20 0.35
TIPARP Q7Z3E1 2/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
METAP2 P50579 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MAP4K1 Q92918 2/20 0.33

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
Hydrochloric Acid SCHEMBL5404592 0.94 ACVR1B (0.41) PDE4BACVR1BTGFBR1ACVR1KCNH2
Hydrochloric Acid SCHEMBL5404537 0.89 CHRNB2 (0.41) PDE4BKCNH2BRD4ROCK1ROCK2
SCHEMBL5413293 0.87 PDE4B (0.42) PDE4BBRD4ROCK1ROCK2CDC42BPA
SCHEMBL5407739 0.82 TIPARP (0.41) PDE4BROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL5415144 0.82 TIPARP (0.40) ROCK1ROCK2CDC42BPACDC42BPBHRH1
SCHEMBL5421981 0.82 ROCK1 (0.38) PDE4BROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL5413033 0.82 KHK (0.39) PDE4BROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL6599617 0.81 BRD4 (0.40) BRD4ROCK1ROCK2METAP2MAP4K1
SCHEMBL6599614 0.81 BRD4 (0.40) BRD4ROCK1ROCK2METAP2MAP4K1
Hydrochloric Acid SCHEMBL5407165 0.81 KHK (0.38) PDE4BROCK1ROCK2CDC42BPACDC42BPB

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 PDE4B 836/4885ACVR1B 1506/4885TGFBR1 733/4885

“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.