SCHEMBL4128776

SCHEMBL4128776

COc1cccc(CNC(=O)Nc2ccc3[nH]nc(N)c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
ROCK1 Q13464 2/20 0.53
HIF1A Q16665 1/20 0.53
KDR P35968 1/20 0.52
NAMPT P43490 4/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL16564555 0.91 ROCK2 (0.58) ROCK2SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL4116438 0.90 CNR1 (0.61) ROCK2SMN1; SMN2ROCK1KDRMEN1
SCHEMBL4130093 0.85 AURKA (0.54) ROCK2ROCK1HIF1AKDRNAMPT
SCHEMBL4124079 0.84 MAPK1 (0.69) ROCK2KDRNAMPTLMNAAURKA
SCHEMBL4124949 0.84 MTOR (0.55) ROCK2ROCK1KDRNAMPTAURKA
SCHEMBL4122172 0.84 JAK2 (0.64) ROCK2KDRNAMPTAURKAAURKB
SCHEMBL12907153 0.83 SMN1; SMN2 (0.67) ROCK2SMN1; SMN2ROCK1ALDH1A1LMNA
SCHEMBL4118023 0.82 MAPK1 (0.49) ROCK2SMN1; SMN2LMNAMAPK1
SCHEMBL4116172 0.82 MAPK1 (0.52) ROCK2SMN1; SMN2ROCK1NAMPTMEN1
SCHEMBL4124726 0.81 ROCK2 (0.53) ROCK2SMN1; SMN2NAMPTMAPT

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 12 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
EP-2040701-B1 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2015-03-18 EP disclosed
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
CN-101489551-A Aminoindazole urea derivatives MERCK PATENT GMBH (DE) 2009-07-22 CN disclosed
WO-2008009335-A2 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2008-01-24 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-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES SGK2, SGK1, SGK3 ROCK2 635/4885SMN1; SMN2 4645/4885ROCK1 454/4885

“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.