SCHEMBL4912602

SCHEMBL4912602

O=c1c(NCc2cccc(F)c2)c(Nc2ccc3[nH][nH]c(=O)c3c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
RPS6KB1 P23443 6/20 0.45
ROCK2 O75116 5/20 0.45
GSK3B P49841 5/20 0.45
ROCK1 Q13464 5/20 0.45
PRKG1 Q13976 5/20 0.45
CLK4 Q9HAZ1 4/20 0.45
CHEK2 O96017 4/20 0.45
PRKACA P17612 4/20 0.45
AKT1 P31749 4/20 0.45
RPS6KA3 P51812 4/20 0.45
PKN2 Q16513 4/20 0.45
CDC42BPA Q5VT25 4/20 0.45
HIPK4 Q8NE63 4/20 0.45
AURKB Q96GD4 4/20 0.45
DYRK1A Q13627 4/20 0.45
CHEK1 O14757 3/20 0.45
AKT2 P31751 3/20 0.45
CLK2 P49760 3/20 0.45
PRKAA1 Q13131 3/20 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
SCHEMBL4903209 0.88 ROCK2 (0.48) PIK3CDRPS6KB1ROCK2GSK3BROCK1
SCHEMBL14066911 0.87 PIK3CD (0.57) PIK3CDRPS6KB1ROCK2GSK3BROCK1
SCHEMBL4629366 0.87 PIK3CD (0.46) PIK3CDRPS6KB1ROCK2GSK3BROCK1
SCHEMBL4629359 0.82 AURKB (0.67) PIK3CDRPS6KB1ROCK2GSK3BROCK1
SCHEMBL4912933 0.82 CLK4 (0.48) PIK3CDRPS6KB1ROCK2GSK3BROCK1
SCHEMBL4627726 0.81 ROCK1 (0.46) PIK3CDRPS6KB1ROCK2GSK3BROCK1
SCHEMBL4898059 0.78 ROCK1 (0.46) RPS6KB1ROCK2GSK3BROCK1PRKG1
SCHEMBL4629381 0.76 MAPKAPK2 (0.51) ROCK2GSK3BROCK1CLK4CHEK2
SCHEMBL4598313 0.72 PIK3CD (0.46) PIK3CDRPS6KB1ROCK2GSK3BROCK1
SCHEMBL1228651 0.72 JAK2 (0.50) RPS6KB1ROCK2GSK3BROCK1PRKG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US claimed
US-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-09-25 US 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-20080234348-A1 3-Oxoindazolesquaric Acid Derivatives CHEK2, CHEK1, SGK2 PIK3CD 789/4885RPS6KB1 586/4885ROCK2 1084/4885

“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.