SCHEMBL16680227

SCHEMBL16680227

O=C(NC(CO)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.66
GSK3B P49841 4/20 0.66
ROCK1 Q13464 4/20 0.66
CLK4 Q9HAZ1 4/20 0.66
GSK3A P49840 3/20 0.66
RPS6KA5 O75582 3/20 0.66
MAPK1 P28482 3/20 0.66
AKT1 P31749 3/20 0.66
NEK4 P51957 3/20 0.66
PRKCD Q05655 3/20 0.66
PRKG2 Q13237 3/20 0.66
PRKG1 Q13976 3/20 0.66
PKN2 Q16513 3/20 0.66
PRKACA P17612 2/20 0.66
PRKX P51817 2/20 0.66
MAPK13 O15264 2/20 0.66
MAP4K4 O95819 2/20 0.66
PRKCG P05129 2/20 0.66
CDK1 P06493 2/20 0.66
RPS6KB1 P23443 2/20 0.66

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
SCHEMBL16680225 1.00 ROCK2 (0.66) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL9848822 0.89 ROCK2 (0.70) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL9293287 0.89 ROCK2 (0.70) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL2777735 0.89 ROCK2 (0.70) ROCK2GSK3BROCK1CLK4GSK3A
Hydrochloric Acid SCHEMBL29693063 0.87 GSK3B (0.68) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL14427964 0.84 MAPK1 (0.66) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL12302084 0.84 MAPK1 (0.66) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL12302081 0.84 MAPK1 (0.66) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL28015865 0.84 KDM4E (0.78) ROCK2GSK3BROCK1CLK4GSK3A
SCHEMBL8305694 0.84 ALDH1A1 (0.66) ROCK2GSK3BROCK1CLK4GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2020-05-26 US disclosed
US-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-08-15 US disclosed
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2019-01-29 US disclosed
EP-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 US disclosed
EP-3063143-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS Novartis AG (CH) 2016-09-07 EP disclosed
US-9242996-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 US disclosed
WO-2015066188-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 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 (6 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-20190247392-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 ROCK2 294/4885GSK3B 347/4885ROCK1 427/4885
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 ROCK2 294/4885GSK3B 347/4885ROCK1 427/4885
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 ROCK2 294/4885GSK3B 347/4885ROCK1 427/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 ROCK2 294/4885GSK3B 347/4885ROCK1 427/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 ROCK2 294/4885GSK3B 347/4885ROCK1 427/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 ROCK2 294/4885GSK3B 347/4885ROCK1 427/4885

“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.