SCHEMBL4119033

SCHEMBL4119033

Nc1n[nH]c2ccc(NC(=O)NCc3ccc(Br)s3)cc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.50
JAK1 P23458 7/20 0.50
ULK1 O75385 7/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
PRKX P51817 1/20 0.45
PRKG2 Q13237 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
ITK Q08881 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL10092960 0.88 JAK2 (0.51) JAK2JAK1ULK1ROCK2ROCK1
SCHEMBL4124949 0.79 MTOR (0.55) JAK2JAK1ULK1ROCK2ROCK1
SCHEMBL4130093 0.76 AURKA (0.54) JAK2JAK1ULK1ROCK2ROCK1
SCHEMBL16564573 0.76 AURKA (0.61) JAK2JAK1ULK1ROCK2ROCK1
SCHEMBL4122172 0.75 JAK2 (0.64) JAK2JAK1ULK1ROCK2AURKA
SCHEMBL4124079 0.75 MAPK1 (0.69) JAK2JAK1ULK1ROCK2ITK
SCHEMBL16564357 0.75 JAK2 (0.49) JAK2JAK1ULK1AURKAAURKB
SCHEMBL16564555 0.75 ROCK2 (0.58) JAK2JAK1ULK1ROCK2ITK
SCHEMBL4118023 0.73 MAPK1 (0.49) JAK2JAK1ULK1ROCK2ITK
SCHEMBL12907288 0.73 JAK2 (0.61) JAK2JAK1ULK1ROCK2ROCK1

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 JAK2 174/4885JAK1 78/4885ULK1 120/4885

“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.