SCHEMBL4130093

SCHEMBL4130093

Nc1n[nH]c2ccc(NC(=O)NCc3cccc(O)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.54
AURKB Q96GD4 2/20 0.54
MAPK1 P28482 1/20 0.53
JAK2 O60674 6/20 0.53
JAK1 P23458 5/20 0.53
ULK1 O75385 3/20 0.53
KIT P10721 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
ITK Q08881 1/20 0.49
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 0.49
HIF1A Q16665 1/20 0.49
NAMPT P43490 1/20 0.47
HAO1 Q9UJM8 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL4124949 0.88 MTOR (0.55) AURKAAURKBMAPK1JAK2JAK1
SCHEMBL4124079 0.88 MAPK1 (0.69) AURKAAURKBMAPK1JAK2JAK1
SCHEMBL4122172 0.88 JAK2 (0.64) AURKAAURKBMAPK1JAK2JAK1
SCHEMBL4128776 0.85 ROCK2 (0.60) AURKAAURKBMAPK1KDRROCK2
SCHEMBL4035815 0.84 JAK2 (0.55) AURKAAURKBJAK2JAK1ULK1
Hydrochloric Acid SCHEMBL921534 0.83 JAK2 (0.54) AURKAAURKBJAK2JAK1ULK1
SCHEMBL16564573 0.82 AURKA (0.61) AURKAAURKBMAPK1JAK2JAK1
SCHEMBL12907145 0.82 JAK2 (0.58) MAPK1JAK2JAK1ULK1ITK
SCHEMBL16564555 0.79 ROCK2 (0.58) MAPK1JAK2JAK1ULK1ITK
SCHEMBL4170615 0.79 JAK2 (0.51) AURKAAURKBMAPK1JAK2JAK1

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 6 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
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
CN-101489551-A Aminoindazole urea derivatives MERCK PATENT GMBH (DE) 2009-07-22 CN 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 AURKA 288/4885AURKB 402/4885MAPK1 594/4885

“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.