SCHEMBL16679944

SCHEMBL16679944

CC(C)(C)[S@+]([O-])N[C@H](CN)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.40
AOC3 Q16853 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KB1 P23443 2/20 0.34
PNMT P11086 2/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A4 P31645 1/20 0.33
DCAF1 Q9Y4B6 2/20 0.33
PHGDH O43175 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL16679942 1.00 AURKA (0.40) AURKAAOC3ROCK2RPS6KB1PNMT
SCHEMBL21205425 0.87 SLC6A4 (0.36) AOC3CYP2B6SLC6A4ADRB2ADRB1
SCHEMBL8023449 0.87 SLC6A4 (0.36) AOC3CYP2B6SLC6A4ADRB2ADRB1
SCHEMBL23560939 0.87 SLC6A4 (0.36) AOC3CYP2B6SLC6A4ADRB2ADRB1
SCHEMBL21259673 0.87 SLC6A4 (0.36) AOC3CYP2B6SLC6A4ADRB2ADRB1
SCHEMBL21507534 0.85 AKT1 (0.37) ROCK2CYP2B6SLC6A4PHGDHADRB2
SCHEMBL16681318 0.83 TAAR1 (0.35) AURKARPS6KB1SLC6A4
SCHEMBL16681317 0.83 TAAR1 (0.35) AURKARPS6KB1SLC6A4
SCHEMBL21507531 0.83 ATM (0.36) AOC3ROCK2CYP2B6SLC6A4ADRB2
SCHEMBL22100802 0.82 TAAR1 (0.40) AOC3ROCK2RPS6KB1SLC6A4

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 AURKA 170/4885AOC3 4491/4885ROCK2 294/4885
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 AURKA 170/4885AOC3 4491/4885ROCK2 294/4885
US-10188649-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 AURKA 170/4885AOC3 4491/4885ROCK2 294/4885
US-10660888-B2 Aminoheteroaryl benzamides as kinase inhibitors ABL1, MAP3K12, MAP3K2 AURKA 170/4885AOC3 4491/4885ROCK2 294/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 AURKA 170/4885AOC3 4491/4885ROCK2 294/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 AURKA 170/4885AOC3 4491/4885ROCK2 294/4885

“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.