SCHEMBL4124726

SCHEMBL4124726

COc1cccc(CNC(=O)Nc2ccc3[nH]nc(NC(=O)c4cccc(Cl)c4)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
JAK2 O60674 2/20 0.53
CDC7 O00311 2/20 0.53
DAPK3 O43293 2/20 0.53
PAK4 O96013 2/20 0.53
CDK2 P24941 2/20 0.53
FLT3 P36888 2/20 0.53
CSNK1A1 P48729 2/20 0.53
CLK2 P49760 2/20 0.53
CDK7 P50613 2/20 0.53
CDK9 P50750 2/20 0.53
PRKX P51817 2/20 0.53
CDK5 Q00535 2/20 0.53
DYRK1A Q13627 2/20 0.53
MELK Q14680 2/20 0.53
HIPK2 Q9H2X6 2/20 0.53
STK17A Q9UEE5 2/20 0.53
MAP4K5 Q9Y4K4 2/20 0.53
MAP4K4 O95819 1/20 0.53
PRKACA P17612 1/20 0.53

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
SCHEMBL1230072 0.85 CDC7 (0.51) ROCK2JAK2CDC7DAPK3PAK4
SCHEMBL4128776 0.81 ROCK2 (0.60) ROCK2SMN1; SMN2NAMPTMAPT
SCHEMBL1230073 0.80 FADS1 (0.56) ROCK2JAK2CDC7DAPK3PAK4
SCHEMBL4117392 0.80 JAK2 (0.55) ROCK2JAK2CDC7DAPK3PAK4
SCHEMBL1230470 0.77 CDK7 (0.53) ROCK2JAK2CDC7DAPK3PAK4
SCHEMBL4122172 0.76 JAK2 (0.64) ROCK2JAK2FLT3JAK1NPC1
SCHEMBL1230523 0.75 AURKB (0.60) ROCK2JAK2CDC7DAPK3PAK4
SCHEMBL1230097 0.75 FADS1 (0.47) ROCK2JAK2CDC7DAPK3PAK4
SCHEMBL2527438 0.75 FLT3 (0.62) ROCK2JAK2CDC7DAPK3PAK4
SCHEMBL1228960 0.74 JAK2 (0.52) ROCK2JAK2CDC7DAPK3PAK4

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
EP-2040701-B1 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2015-03-18 EP claimed
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US claimed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US claimed

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-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES SGK2, SGK1, SGK3 ROCK2 635/4885JAK2 174/4885CDC7 847/4885

“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.