SCHEMBL4287952

SCHEMBL4287952

c1cc(CNc2nc3ccc(-c4ccnc5[nH]ccc45)cc3s2)c2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 13/20 0.46
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
ROCK1 Q13464 3/20 0.40
ROCK2 O75116 2/20 0.40
NUDT1 P36639 1/20 0.39
MAP4K4 O95819 2/20 0.38
PRKACA P17612 2/20 0.38
CLK2 P49760 2/20 0.38
PRKX P51817 2/20 0.38
DYRK1A Q13627 2/20 0.38
AURKB Q96GD4 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
PRKCG P05129 1/20 0.38
LYN P07948 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
FLT3 P36888 1/20 0.38
CSNK1D P48730 1/20 0.38
IRAK1 P51617 1/20 0.38

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
SCHEMBL4285908 0.82 ROCK2 (0.44) ROCK1ROCK2MAP4K4PRKACACLK2
SCHEMBL4284870 0.80 ROCK2 (0.60) ROCK1ROCK2MAP4K4PRKACACLK2
SCHEMBL4286880 0.80 ROCK2 (0.45) ROCK1ROCK2MAP4K4PRKACACLK2
SCHEMBL4280340 0.78 CIT (0.49) PRKCICCNKCDK12ROCK1ROCK2
SCHEMBL4293121 0.77 ROCK2 (0.58) ROCK1ROCK2MAP4K4PRKACACLK2
SCHEMBL4286873 0.75 NPC1 (0.52) PRKCICCNKCDK12ROCK1ROCK2
SCHEMBL4286072 0.74 AURKB (0.56) ROCK1ROCK2AURKB
SCHEMBL20855098 0.68 ABL1 (0.68)
SCHEMBL4445623 0.67 ROCK2 (0.43) ROCK1ROCK2MAP4K4PRKACACLK2
SCHEMBL12127485 0.65 PRKCI (0.65) PRKCICCNKCDK12ROCK1NUDT1

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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US claimed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO claimed
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US disclosed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO 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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA PRKCI 209/4885CCNK 399/4885CDK12 570/4885

“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.