SCHEMBL6092534

SCHEMBL6092534

O=C(N[C@H](CO)Cc1ccncc1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.80
ROCK1 Q13464 6/20 0.80
PRKACA P17612 4/20 0.80
PRKX P51817 4/20 0.80
PRKG1 Q13976 4/20 0.80
CLK4 Q9HAZ1 4/20 0.80
MAPK1 P28482 4/20 0.80
IRAK1 P51617 3/20 0.80
PKN2 Q16513 3/20 0.80
RPS6KA5 O75582 3/20 0.80
GSK3B P49841 3/20 0.80
RPS6KA4 O75676 2/20 0.80
GSK3A P49840 2/20 0.80
SGK2 Q9HBY8 2/20 0.80
LIMK1 P53667 2/20 0.64
RPS6KB1 P23443 2/20 0.64
PRKG2 Q13237 2/20 0.64
HIPK4 Q8NE63 1/20 0.64
AURKB Q96GD4 1/20 0.64
CSNK1G1 Q9HCP0 1/20 0.64

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
SCHEMBL6092542 1.00 ROCK2 (0.80) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL3682310 0.89 CTRB1 (0.73) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL3682311 0.89 CTRB1 (0.73) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL5685800 0.89 CTRB1 (0.73) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL3104425 0.89 ROCK1 (1.00) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL3092785 0.89 ROCK1 (1.00) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL4367262 0.84 ROCK2 (0.70) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL7782103 0.84 ROCK2 (0.69) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL7378064 0.84 ROCK2 (0.69) ROCK2ROCK1PRKACAPRKXPRKG1
SCHEMBL6192681 0.83 ROCK2 (0.59) ROCK2ROCK1PRKACAPRKXPRKG1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 EP disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 ROCK2 3209/4885ROCK1 2481/4885PRKACA 4595/4885

“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.